(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde

C168H180Cl4F10IN19O — CID 157437186

IUPAC(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C[C@H]1CCCCN1.C[C@H]1CCCCN1c1cc(N)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cc(I)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccc(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cccc(F)n1.Cc1cc(N2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2C)nc(F)c1Cl.Fc1cccc(F)n1.O=CC(F)(F)F
InChIInChI=1S/C30H29ClFN3.C29H26ClFIN3.C29H27ClFN3.C29H28FN3.C24H26N2.C11H15ClFN3.C6H13N.C5H3F2N.C2HF3O.3CH4/c1-22-20-27(33-29(32)28(22)31)35-19-18-34(21-23(35)2)30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-20-34(17-18-35(21)26-19-25(32)27(30)28(31)33-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-22-21-33(19-20-34(22)27-18-17-26(30)28(31)32-27)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;1-23-22-32(20-21-33(23)28-19-11-18-27(30)31-28)29(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26;1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-7-4-2-3-5-16(7)9-6-8(14)10(12)11(13)15-9;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;3-2(4,5)1-6;;;/h3-17,20,23H,18-19,21H2,1-2H3;2-16,19,21H,17-18,20H2,1H3;2-18,22H,19-21H2,1H3;2-19,23H,20-22H2,1H3;2-16,20,25H,17-19H2,1H3;6-7H,2-5H2,1H3,(H2,14,15);6-7H,2-5H2,1H3;1-3H;1H;3*1H4/t23-;21-;22-;23-;20-;7-;6-;;;;;/m0000000...../s1
InChIKeyBRGAQKYIEOWMRB-IADSZLENSA-N
MW2940.12 g/mol
LogP38.04
Rot. Bonds25

About (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde

(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde (PubChem CID 157437186) has the molecular formula C168H180Cl4F10IN19O and a molecular weight of 2940.12 g/mol. Its IUPAC name is (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde
PubChem CID157437186
Molecular FormulaC168H180Cl4F10IN19O
Molecular Weight2940.12 g/mol
Exact Mass2936.23
IUPAC Name(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C[C@H]1CCCCN1.C[C@H]1CCCCN1c1cc(N)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cc(I)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccc(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cccc(F)n1.Cc1cc(N2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2C)nc(F)c1Cl.Fc1cccc(F)n1.O=CC(F)(F)F
InChIInChI=1S/C30H29ClFN3.C29H26ClFIN3.C29H27ClFN3.C29H28FN3.C24H26N2.C11H15ClFN3.C6H13N.C5H3F2N.C2HF3O.3CH4/c1-22-20-27(33-29(32)28(22)31)35-19-18-34(21-23(35)2)30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-20-34(17-18-35(21)26-19-25(32)27(30)28(31)33-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-22-21-33(19-20-34(22)27-18-17-26(30)28(31)32-27)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;1-23-22-32(20-21-33(23)28-19-11-18-27(30)31-28)29(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26;1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-7-4-2-3-5-16(7)9-6-8(14)10(12)11(13)15-9;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;3-2(4,5)1-6;;;/h3-17,20,23H,18-19,21H2,1-2H3;2-16,19,21H,17-18,20H2,1H3;2-18,22H,19-21H2,1H3;2-19,23H,20-22H2,1H3;2-16,20,25H,17-19H2,1H3;6-7H,2-5H2,1H3,(H2,14,15);6-7H,2-5H2,1H3;1-3H;1H;3*1H4/t23-;21-;22-;23-;20-;7-;6-;;;;;/m0000000...../s1
InChIKeyBRGAQKYIEOWMRB-IADSZLENSA-N
XLogP38.04
TPSA176.89 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.12
LogP ≤ 538.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-6-[(2S)-4-[(1R)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;3-chloro-6-[(2S)-4-[(1S)-1-cyclopropylethyl]-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-4-(1-cyclopropylethyl)-2-methylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methylpiperazine;1-cyclopropylethanone;2,2,2-trifluoroacetaldehyde
CID 157355149
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2-chloro-4,6-dimethylpyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-methyl-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
CID 157888968
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-propan-2-ylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-cyclohexylphenyl)-2,6-dimethylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-N-(3-iodophenyl)-2-methylpiperazine-1-carboxamide
CID 158570323
N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 159764199
2-chloro-4-iodo-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridin-4-amine;N-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;pyrrolidine;2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 159797054
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-methyl-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
CID 160741522
2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
CID 160999175
(2R)-N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]piperazine-1-carboxamide;(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161996776
3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridine;1-[(3S)-4-[3-chloro-2-(2-fluorophenyl)-7-methyl-8-(2-methylphenyl)-1,6-naphthyridin-5-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-8-(2-methylphenyl)-5-[(2S)-2-methylpiperidin-1-yl]-1,6-naphthyridin-7-amine;[2,5-dichloro-6-(2-fluorophenyl)-3-pyridinyl]-[(2S)-2-methylpiperidin-1-yl]methanimine
CID 160760303

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde (CID 157437186) is (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde is C.C.C.C[C@H]1CCCCN1.C[C@H]1CCCCN1c1cc(N)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cc(I)c(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccc(Cl)c(F)n1.C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1cccc(F)n1.Cc1cc(N2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2C)nc(F)c1Cl.Fc1cccc(F)n1.O=CC(F)(F)F.
What is the InChIKey of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde?
The InChIKey is BRGAQKYIEOWMRB-IADSZLENSA-N. The full InChI is InChI=1S/C30H29ClFN3.C29H26ClFIN3.C29H27ClFN3.C29H28FN3.C24H26N2.C11H15ClFN3.C6H13N.C5H3F2N.C2HF3O.3CH4/c1-22-20-27(33-29(32)28(22)31)35-19-18-34(21-23(35)2)30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-20-34(17-18-35(21)26-19-25(32)27(30)28(31)33-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-22-21-33(19-20-34(22)27-18-17-26(30)28(31)32-27)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;1-23-22-32(20-21-33(23)28-19-11-18-27(30)31-28)29(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26;1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-7-4-2-3-5-16(7)9-6-8(14)10(12)11(13)15-9;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;3-2(4,5)1-6;;;/h3-17,20,23H,18-19,21H2,1-2H3;2-16,19,21H,17-18,20H2,1H3;2-18,22H,19-21H2,1H3;2-19,23H,20-22H2,1H3;2-16,20,25H,17-19H2,1H3;6-7H,2-5H2,1H3,(H2,14,15);6-7H,2-5H2,1H3;1-3H;1H;3*1H4/t23-;21-;22-;23-;20-;7-;6-;;;;;/m0000000...../s1.
What are the key properties of (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde?
(2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2940.12 g/mol, XLogP of 38.04, 25 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine;3-chloro-2-fluoro-6-[(2S)-2-methylpiperidin-1-yl]pyridin-4-amine;(2S)-1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2-methyl-4-tritylpiperazine;(2S)-1-(5-chloro-6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;2,6-difluoropyridine;(2S)-1-(6-fluoro-2-pyridinyl)-2-methyl-4-tritylpiperazine;methane;(2S)-2-methylpiperidine;(3S)-3-methyl-1-tritylpiperazine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157437186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).