N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

C20H23N7O — CID 146416190

IUPACN-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CN3
InChIInChI=1S/C20H23N7O/c1-5-27-16(6-12(2)25-27)18(28)24-19-23-15-8-13(9-21)7-14-17(15)26(19)11-20(3,4)10-22-14/h6-8,22H,5,10-11H2,1-4H3,(H,23,24,28)
InChIKeyIMVYXMFHDVOOMJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.14
Rot. Bonds3

About N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 146416190) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID146416190
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CN3
InChIInChI=1S/C20H23N7O/c1-5-27-16(6-12(2)25-27)18(28)24-19-23-15-8-13(9-21)7-14-17(15)26(19)11-20(3,4)10-22-14/h6-8,22H,5,10-11H2,1-4H3,(H,23,24,28)
InChIKeyIMVYXMFHDVOOMJ-UHFFFAOYSA-N
XLogP3.14
TPSA100.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 146416307
N-[(10S)-6-cyano-10-(hydroxymethyl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 146416181
N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide
CID 163579234
(11S)-11-ethyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxamide
CID 166765422
2-[5-cyano-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethylphosphonic acid
CID 170008519
N-[1-[1-(4-bromophenyl)ethyl]-5-cyanobenzimidazol-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 175439765
11-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-6-oxa-2-thia-10,12-diazatricyclo[8.6.1.013,17]heptadeca-1(16),11,13(17),14-tetraene-15-carboxylic acid
CID 155021201
(5S)-11-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-methyl-2,6-dioxa-10,12-diazatricyclo[8.6.1.013,17]heptadeca-1(16),11,13(17),14-tetraene-15-carboxylic acid
CID 155020962
11-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-6-methyl-2-oxa-6,10,12-triazatricyclo[8.6.1.013,17]heptadeca-1(16),11,13(17),14-tetraene-15-carboxamide
CID 155021049
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-9-(2-methoxyethyl)-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
CID 156543661
(3E)-7,25-bis[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-16-(1-methylazetidin-3-yl)-14,18-dioxa-1,6,8,24-tetrazapentacyclo[17.6.1.16,9.023,26.013,27]heptacosa-3,7,9(27),10,12,19,21,23(26),24-nonaene-11,21-dicarboxamide
CID 155146472
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 146416190) is N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CN3.
What is the InChIKey of N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is IMVYXMFHDVOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-5-27-16(6-12(2)25-27)18(28)24-19-23-15-8-13(9-21)7-14-17(15)26(19)11-20(3,4)10-22-14/h6-8,22H,5,10-11H2,1-4H3,(H,23,24,28).
What are the key properties of N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-11,11-dimethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146416190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).