6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C20H23N7O3 — CID 171437156

IUPAC6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cnc2cnn(CC)c2c1OC
InChIInChI=1S/C20H23N7O3/c1-4-27-17-14(10-24-27)22-9-15(18(17)30-3)25-13-7-16(26-19(28)11-5-6-11)23-8-12(13)20(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,23,25,26,28)/i2D3
InChIKeyRTIJMNNMJHHQEN-BMSJAHLVSA-N
MW412.47 g/mol
LogP2.31
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437156) has the molecular formula C20H23N7O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID171437156
Molecular FormulaC20H23N7O3
Molecular Weight412.47 g/mol
Exact Mass412.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cnc2cnn(CC)c2c1OC
InChIInChI=1S/C20H23N7O3/c1-4-27-17-14(10-24-27)22-9-15(18(17)30-3)25-13-7-16(26-19(28)11-5-6-11)23-8-12(13)20(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,23,25,26,28)/i2D3
InChIKeyRTIJMNNMJHHQEN-BMSJAHLVSA-N
XLogP2.31
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 171437221
6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
CID 171437250
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437051
4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437094
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-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437300
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
CID 171437430
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
6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
CID 171437610

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437156) is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cnc2cnn(CC)c2c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is RTIJMNNMJHHQEN-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-4-27-17-14(10-24-27)22-9-15(18(17)30-3)25-13-7-16(26-19(28)11-5-6-11)23-8-12(13)20(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,23,25,26,28)/i2D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).