bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine

C67H75N27O4 — CID 164994002

IUPACbis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
SMILESC.CC(C)c1nnnn1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/2C22H23N9O.C13H13N3O2.C9H12N6.CH4/c2*1-13(2)21-27-28-29-31(21)20-6-4-5-19(25-20)26-22(32)18-9-17(14(3)10-23-18)15-11-24-30(12-15)16-7-8-16;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;/h2*4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);4-7,10H,2-3H2,1H3,(H,17,18);3-6H,1-2H3,(H2,10,11);1H4
InChIKeyHHAQUPKMGQXCLG-UHFFFAOYSA-N
MW1322.52 g/mol
LogP10.36
Rot. Bonds17

About bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine

bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine (PubChem CID 164994002) has the molecular formula C67H75N27O4 and a molecular weight of 1322.52 g/mol. Its IUPAC name is bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Namebis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
PubChem CID164994002
Molecular FormulaC67H75N27O4
Molecular Weight1322.52 g/mol
Exact Mass1321.65
IUPAC Namebis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
SMILESC.CC(C)c1nnnn1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/2C22H23N9O.C13H13N3O2.C9H12N6.CH4/c2*1-13(2)21-27-28-29-31(21)20-6-4-5-19(25-20)26-22(32)18-9-17(14(3)10-23-18)15-11-24-30(12-15)16-7-8-16;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;/h2*4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);4-7,10H,2-3H2,1H3,(H,17,18);3-6H,1-2H3,(H2,10,11);1H4
InChIKeyHHAQUPKMGQXCLG-UHFFFAOYSA-N
XLogP10.36
TPSA383.12 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.52
LogP ≤ 510.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine with MolForge

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Related Compounds

2-(4,5-Diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;ZINC
CID 157093036
CID 158920048
CID 158920048
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;pentakis(iridium);tris(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 161109770
7-Amino-4-[5-[4-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyridin-1-ium-1-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579798
7-Amino-4-[5-[2-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579904
[(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propyl] acetate;5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methylbenzoic acid;4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide
CID 157306470
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157335884
N-[(1S)-1-[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
CID 157467224
3-(4-cyclopropyl-1,2,4-triazol-3-yl)aniline;N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxamide;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid
CID 157527978
4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 157644637
4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
CID 157777646
4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-amine
CID 157821816

Frequently Asked Questions

What is the IUPAC name of bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?
The IUPAC name of bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine (CID 164994002) is bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?
The canonical SMILES for bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine is C.CC(C)c1nnnn1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.
What is the InChIKey of bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?
The InChIKey is HHAQUPKMGQXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N9O.C13H13N3O2.C9H12N6.CH4/c2*1-13(2)21-27-28-29-31(21)20-6-4-5-19(25-20)26-22(32)18-9-17(14(3)10-23-18)15-11-24-30(12-15)16-7-8-16;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;/h2*4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);4-7,10H,2-3H2,1H3,(H,17,18);3-6H,1-2H3,(H2,10,11);1H4.
What are the key properties of bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?
bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine has a molecular weight of 1322.52 g/mol, XLogP of 10.36, 17 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide);4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;methane;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 164994002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).