1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine

C146H215ClFN23O7 — CID 158856404

IUPAC1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
SMILESCC(C)C(=O)NCc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)NC2CC2)nc1.CC(C)c1ccnc(Cl)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CNC(=O)c1ccc(C(C)C)cc1F.COCC(=O)NCc1ccc(C(C)C)cn1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1cnn(C(C)(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H20N2O.C12H21N3O.C12H18N2O2.C12H16N2O.C11H14FNO.C9H13NO.5C9H13N.C8H10ClN.C8H14N2.2C8H12N2/c1-9(2)11-5-6-12(14-7-11)8-15-13(16)10(3)4;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-8(2)9-3-6-11(13-7-9)12(15)14-10-4-5-10;1-7(2)8-4-5-9(10(12)6-8)11(14)13-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)9-4-5-10-8(3)6-9;4*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-7-5-9-10(6-7)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-4-7(3)9-10-8/h5-7,9-10H,8H2,1-4H3,(H,15,16);9-11H,3-8H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);3,6-8,10H,4-5H2,1-2H3,(H,14,15);4-7H,1-3H3,(H,13,14);4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyJACKWYDXZVTNSU-UHFFFAOYSA-N
MW2458.93 g/mol
LogP33.09
Rot. Bonds28

About 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine

1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine (PubChem CID 158856404) has the molecular formula C146H215ClFN23O7 and a molecular weight of 2458.93 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
PubChem CID158856404
Molecular FormulaC146H215ClFN23O7
Molecular Weight2458.93 g/mol
Exact Mass2456.68
IUPAC Name1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
SMILESCC(C)C(=O)NCc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)NC2CC2)nc1.CC(C)c1ccnc(Cl)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CNC(=O)c1ccc(C(C)C)cc1F.COCC(=O)NCc1ccc(C(C)C)cn1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1cnn(C(C)(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C13H20N2O.C12H21N3O.C12H18N2O2.C12H16N2O.C11H14FNO.C9H13NO.5C9H13N.C8H10ClN.C8H14N2.2C8H12N2/c1-9(2)11-5-6-12(14-7-11)8-15-13(16)10(3)4;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-8(2)9-3-6-11(13-7-9)12(15)14-10-4-5-10;1-7(2)8-4-5-9(10(12)6-8)11(14)13-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)9-4-5-10-8(3)6-9;4*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-7-5-9-10(6-7)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-4-7(3)9-10-8/h5-7,9-10H,8H2,1-4H3,(H,15,16);9-11H,3-8H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);3,6-8,10H,4-5H2,1-2H3,(H,14,15);4-7H,1-3H3,(H,13,14);4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeyJACKWYDXZVTNSU-UHFFFAOYSA-N
XLogP33.09
TPSA363.43 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002458.93
LogP ≤ 533.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-(1-tert-butylpyrazol-4-yl)-3-[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]urea
CID 66810985
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185821
N-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185793
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
N-[(2-fluorophenyl)methyl]-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185789
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(2-morpholin-4-ylethoxy)phenyl]-5-fluoro-4-methylbenzamide
CID 11352757
2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
CID 163350952
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109183829
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine?
The IUPAC name of 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine (CID 158856404) is 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine?
The canonical SMILES for 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine is CC(C)C(=O)NCc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)NC2CC2)nc1.CC(C)c1ccnc(Cl)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CNC(=O)c1ccc(C(C)C)cc1F.COCC(=O)NCc1ccc(C(C)C)cn1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1cnn(C(C)(C)C)c1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine?
The InChIKey is JACKWYDXZVTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H21N3O.C12H18N2O2.C12H16N2O.C11H14FNO.C9H13NO.5C9H13N.C8H10ClN.C8H14N2.2C8H12N2/c1-9(2)11-5-6-12(14-7-11)8-15-13(16)10(3)4;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2)10-4-5-11(13-6-10)7-14-12(15)8-16-3;1-8(2)9-3-6-11(13-7-9)12(15)14-10-4-5-10;1-7(2)8-4-5-9(10(12)6-8)11(14)13-3;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)9-4-5-10-8(3)6-9;4*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-10-8(9)5-7;1-7-5-9-10(6-7)8(2,3)4;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-4-7(3)9-10-8/h5-7,9-10H,8H2,1-4H3,(H,15,16);9-11H,3-8H2,1-2H3;4-6,9H,7-8H2,1-3H3,(H,14,15);3,6-8,10H,4-5H2,1-2H3,(H,14,15);4-7H,1-3H3,(H,13,14);4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine?
1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine has a molecular weight of 2458.93 g/mol, XLogP of 33.09, 28 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpyrazole;2-chloro-4-propan-2-ylpyridine;N-cyclopropyl-5-propan-2-ylpyridine-2-carboxamide;2-fluoro-N-methyl-4-propan-2-ylbenzamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tetrakis(2-methyl-5-propan-2-ylpyridine);2-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]propanamide;2-methyl-5-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 158856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).