4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide

C22H23N7O3 — CID 171437592

IUPAC4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccn2ncc(C(C)C#N)c2c1OC
InChIInChI=1S/C22H23N7O3/c1-12(9-23)14-11-26-29-7-6-16(20(32-3)19(14)29)27-17-8-18(28-21(30)13-4-5-13)25-10-15(17)22(31)24-2/h6-8,10-13H,4-5H2,1-3H3,(H,24,31)(H2,25,27,28,30)/i2D3
InChIKeyNPAJQEGOEHCFBE-BMSJAHLVSA-N
MW436.49 g/mol
LogP2.82
Rot. Bonds8

About 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437592) has the molecular formula C22H23N7O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID171437592
Molecular FormulaC22H23N7O3
Molecular Weight436.49 g/mol
Exact Mass436.21
IUPAC Name4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccn2ncc(C(C)C#N)c2c1OC
InChIInChI=1S/C22H23N7O3/c1-12(9-23)14-11-26-29-7-6-16(20(32-3)19(14)29)27-17-8-18(28-21(30)13-4-5-13)25-10-15(17)22(31)24-2/h6-8,10-13H,4-5H2,1-3H3,(H,24,31)(H2,25,27,28,30)/i2D3
InChIKeyNPAJQEGOEHCFBE-BMSJAHLVSA-N
XLogP2.82
TPSA133.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436785
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-ynyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157020994
6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155674539
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
4-[3-[3-[1-(4-acetylpiperazin-1-yl)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166585200
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
CID 171437430
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-N-methylpyridine-3-carboxamide
CID 138645799
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]-N-methylpyridine-3-carboxamide
CID 176564124
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(phenylmethoxymethyl)-1,2,4-oxadiazol-5-yl]anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166584982

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437592) is 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccn2ncc(C(C)C#N)c2c1OC.
What is the InChIKey of 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is NPAJQEGOEHCFBE-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-12(9-23)14-11-26-29-7-6-16(20(32-3)19(14)29)27-17-8-18(28-21(30)13-4-5-13)25-10-15(17)22(31)24-2/h6-8,10-13H,4-5H2,1-3H3,(H,24,31)(H2,25,27,28,30)/i2D3.
What are the key properties of 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).