bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid

C153H141F8N29O13 — CID 163955861

IUPACbis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)O)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C41H39F2N7O4.2C36H31F2N7O2.C24H29FN6O2.C16H11FN2O3/c1-41(2,3)54-40(53)48-15-13-29(14-16-48)49-23-27(22-47-49)26-19-33(37(44)46-21-26)31-12-5-24(17-35(31)43)18-36(51)34-20-32(25-6-7-25)38(45-4)50(39(34)52)30-10-8-28(42)9-11-30;2*1-40-35-29(22-3-4-22)17-31(36(47)45(35)27-7-5-25(37)6-8-27)33(46)15-21-2-9-28(32(38)14-21)30-16-23(18-42-34(30)39)24-19-43-44(20-24)26-10-12-41-13-11-26;1-24(2,3)33-23(32)30-8-6-18(7-9-30)31-14-16(13-29-31)15-10-20(22(27)28-12-15)19-5-4-17(26)11-21(19)25;1-18-14-12(9-2-3-9)8-13(16(21)22)15(20)19(14)11-6-4-10(17)5-7-11/h5,8-12,17,19-23,25,29H,6-7,13-16,18H2,1-3H3,(H2,44,46);2*2,5-9,14,16-20,22,26,41H,3-4,10-13,15H2,(H2,39,42);4-5,10-14,18H,6-9,26H2,1-3H3,(H2,27,28);4-9H,2-3H2,(H,21,22)
InChIKeySDHSNTHCLKAXQZ-UHFFFAOYSA-N
MW2745.98 g/mol
LogP28.44
Rot. Bonds30

About bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid

bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid (PubChem CID 163955861) has the molecular formula C153H141F8N29O13 and a molecular weight of 2745.98 g/mol. Its IUPAC name is bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Namebis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid
PubChem CID163955861
Molecular FormulaC153H141F8N29O13
Molecular Weight2745.98 g/mol
Exact Mass2744.11
IUPAC Namebis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)O)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C41H39F2N7O4.2C36H31F2N7O2.C24H29FN6O2.C16H11FN2O3/c1-41(2,3)54-40(53)48-15-13-29(14-16-48)49-23-27(22-47-49)26-19-33(37(44)46-21-26)31-12-5-24(17-35(31)43)18-36(51)34-20-32(25-6-7-25)38(45-4)50(39(34)52)30-10-8-28(42)9-11-30;2*1-40-35-29(22-3-4-22)17-31(36(47)45(35)27-7-5-25(37)6-8-27)33(46)15-21-2-9-28(32(38)14-21)30-16-23(18-42-34(30)39)24-19-43-44(20-24)26-10-12-41-13-11-26;1-24(2,3)33-23(32)30-8-6-18(7-9-30)31-14-16(13-29-31)15-10-20(22(27)28-12-15)19-5-4-17(26)11-21(19)25;1-18-14-12(9-2-3-9)8-13(16(21)22)15(20)19(14)11-6-4-10(17)5-7-11/h5,8-12,17,19-23,25,29H,6-7,13-16,18H2,1-3H3,(H2,44,46);2*2,5-9,14,16-20,22,26,41H,3-4,10-13,15H2,(H2,39,42);4-5,10-14,18H,6-9,26H2,1-3H3,(H2,27,28);4-9H,2-3H2,(H,21,22)
InChIKeySDHSNTHCLKAXQZ-UHFFFAOYSA-N
XLogP28.44
TPSA530.03 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002745.98
LogP ≤ 528.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

bis(5-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-isocyano-1-propan-2-ylpyridin-4-one);tert-butyl 4-[4-(6-amino-5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-isocyano-4-oxo-1-propan-2-yl-3-pyridinyl]-2-oxoethyl]phenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(4-fluorophenyl)-N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-isocyano-4-oxo-1-propan-2-ylpyridine-3-carboxamide;hydrochloride
CID 163607275
N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 163770927
N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-(4-fluorophenyl)-2-oxo-5-prop-1-en-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-bromo-1-(4-fluorophenyl)-6-(methylaminomethyl)-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 163929718
N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide;N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide;N-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,5-difluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 163984900

Frequently Asked Questions

What is the IUPAC name of bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid?
The IUPAC name of bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid (CID 163955861) is bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)Cc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)n1-c1ccc(F)cc1.[C-]#[N+]c1c(C2CC2)cc(C(=O)O)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid?
The InChIKey is SDHSNTHCLKAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39F2N7O4.2C36H31F2N7O2.C24H29FN6O2.C16H11FN2O3/c1-41(2,3)54-40(53)48-15-13-29(14-16-48)49-23-27(22-47-49)26-19-33(37(44)46-21-26)31-12-5-24(17-35(31)43)18-36(51)34-20-32(25-6-7-25)38(45-4)50(39(34)52)30-10-8-28(42)9-11-30;2*1-40-35-29(22-3-4-22)17-31(36(47)45(35)27-7-5-25(37)6-8-27)33(46)15-21-2-9-28(32(38)14-21)30-16-23(18-42-34(30)39)24-19-43-44(20-24)26-10-12-41-13-11-26;1-24(2,3)33-23(32)30-8-6-18(7-9-30)31-14-16(13-29-31)15-10-20(22(27)28-12-15)19-5-4-17(26)11-21(19)25;1-18-14-12(9-2-3-9)8-13(16(21)22)15(20)19(14)11-6-4-10(17)5-7-11/h5,8-12,17,19-23,25,29H,6-7,13-16,18H2,1-3H3,(H2,44,46);2*2,5-9,14,16-20,22,26,41H,3-4,10-13,15H2,(H2,39,42);4-5,10-14,18H,6-9,26H2,1-3H3,(H2,27,28);4-9H,2-3H2,(H,21,22).
What are the key properties of bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid?
bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid has a molecular weight of 2745.98 g/mol, XLogP of 28.44, 30 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]acetyl]-5-cyclopropyl-1-(4-fluorophenyl)-6-isocyanopyridin-2-one);tert-butyl 4-[4-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-[4-[2-[5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxo-3-pyridinyl]-2-oxoethyl]-2-fluorophenyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-cyclopropyl-1-(4-fluorophenyl)-6-isocyano-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 163955861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).