N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide

C20H22N8O — CID 11997669

IUPACN-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)C5CC5)[C@@H]4C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H22N8O/c1-10-7-15(27-26-10)22-18-12-3-2-6-21-17(12)24-20(25-18)28-8-13-14(9-28)16(13)23-19(29)11-4-5-11/h2-3,6-7,11,13-14,16H,4-5,8-9H2,1H3,(H,23,29)(H2,21,22,24,25,26,27)/t13-,14+,16?
InChIKeyLQTUAPKQBXMXEM-MZBDJJRSSA-N
MW390.45 g/mol
LogP1.76
Rot. Bonds5

About N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide

N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide (PubChem CID 11997669) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide
PubChem CID11997669
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)C5CC5)[C@@H]4C3)nc3ncccc23)n[nH]1
InChIInChI=1S/C20H22N8O/c1-10-7-15(27-26-10)22-18-12-3-2-6-21-17(12)24-20(25-18)28-8-13-14(9-28)16(13)23-19(29)11-4-5-11/h2-3,6-7,11,13-14,16H,4-5,8-9H2,1H3,(H,23,29)(H2,21,22,24,25,26,27)/t13-,14+,16?
InChIKeyLQTUAPKQBXMXEM-MZBDJJRSSA-N
XLogP1.76
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
CID 155177021
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-azaspiro[5.5]undecan-1-one
CID 155177171
3-ethyl-7-[[4-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168271645
1-[4-[benzyl(methyl)amino]-2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 50942847
7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-6-one
CID 58405634
N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327832
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 146635722
2-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
CID 155177044
2-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 155177262
1-[(1R)-1-phenylethyl]-3-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044674
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383308
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383311

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide (CID 11997669) is N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide is Cc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)C5CC5)[C@@H]4C3)nc3ncccc23)n[nH]1.
What is the InChIKey of N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide?
The InChIKey is LQTUAPKQBXMXEM-MZBDJJRSSA-N. The full InChI is InChI=1S/C20H22N8O/c1-10-7-15(27-26-10)22-18-12-3-2-6-21-17(12)24-20(25-18)28-8-13-14(9-28)16(13)23-19(29)11-4-5-11/h2-3,6-7,11,13-14,16H,4-5,8-9H2,1H3,(H,23,29)(H2,21,22,24,25,26,27)/t13-,14+,16?.
What are the key properties of N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide?
N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).