6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide

C24H27N7O2 — CID 164944176

IUPAC6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1cn(C)nc1-2
InChIInChI=1S/C24H27N7O2/c1-13-17-12-30(3)29-21(17)15-6-5-7-18(22(15)31(13)4)27-19-10-20(28-23(32)14-8-9-14)26-11-16(19)24(33)25-2/h5-7,10-14H,8-9H2,1-4H3,(H,25,33)(H2,26,27,28,32)/i2D3
InChIKeyUWBQIPITHHHYOM-BMSJAHLVSA-N
MW448.55 g/mol
LogP3.44
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 164944176) has the molecular formula C24H27N7O2 and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
PubChem CID164944176
Molecular FormulaC24H27N7O2
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1cn(C)nc1-2
InChIInChI=1S/C24H27N7O2/c1-13-17-12-30(3)29-21(17)15-6-5-7-18(22(15)31(13)4)27-19-10-20(28-23(32)14-8-9-14)26-11-16(19)24(33)25-2/h5-7,10-14H,8-9H2,1-4H3,(H,25,33)(H2,26,27,28,32)/i2D3
InChIKeyUWBQIPITHHHYOM-BMSJAHLVSA-N
XLogP3.44
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
6-(cyclopropanecarbonylamino)-4-[(7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-8-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164903003
N-[4-[[(4R)-2,3,4,5-tetramethyl-4H-imidazo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973840
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
6-(cyclopropanecarbonylamino)-4-[[8-fluoro-5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c]quinolin-6-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944400
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridine-3-carboxamide
CID 177044825
N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 160567483
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide (CID 164944176) is 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1cn(C)nc1-2.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is UWBQIPITHHHYOM-BMSJAHLVSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-13-17-12-30(3)29-21(17)15-6-5-7-18(22(15)31(13)4)27-19-10-20(28-23(32)14-8-9-14)26-11-16(19)24(33)25-2/h5-7,10-14H,8-9H2,1-4H3,(H,25,33)(H2,26,27,28,32)/i2D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 164944176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).