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]acetamide

C18H20N8O — CID 11997667

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]acetamide
SMILESCC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12
InChIInChI=1S/C18H20N8O/c1-9-6-14(25-24-9)21-17-11-4-3-5-19-16(11)22-18(23-17)26-7-12-13(8-26)15(12)20-10(2)27/h3-6,12-13,15H,7-8H2,1-2H3,(H,20,27)(H2,19,21,22,23,24,25)/t12-,13+,15?
InChIKeyDEOHHPDHEKYVAF-NNQSOWQGSA-N
MW364.41 g/mol
LogP1.37
Rot. Bonds4

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]acetamide

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]acetamide (PubChem CID 11997667) has the molecular formula C18H20N8O and a molecular weight of 364.41 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]acetamide.

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]acetamide
PubChem CID11997667
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
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]acetamide
SMILESCC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12
InChIInChI=1S/C18H20N8O/c1-9-6-14(25-24-9)21-17-11-4-3-5-19-16(11)22-18(23-17)26-7-12-13(8-26)15(12)20-10(2)27/h3-6,12-13,15H,7-8H2,1-2H3,(H,20,27)(H2,19,21,22,23,24,25)/t12-,13+,15?
InChIKeyDEOHHPDHEKYVAF-NNQSOWQGSA-N
XLogP1.37
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.37
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]acetamide with MolForge

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Related Compounds

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CID 124090478
(3R)-3-fluoro-N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
CID 57385368
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
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
4-[2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10,12-pentaen-6-one
CID 138857396
3-ethyl-7-[[4-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168271645
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45107770
3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108081
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
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
CID 57384871
7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-6-one
CID 58405634

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]acetamide?
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]acetamide (CID 11997667) 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]acetamide.
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]acetamide?
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]acetamide is CC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12.
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]acetamide?
The InChIKey is DEOHHPDHEKYVAF-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H20N8O/c1-9-6-14(25-24-9)21-17-11-4-3-5-19-16(11)22-18(23-17)26-7-12-13(8-26)15(12)20-10(2)27/h3-6,12-13,15H,7-8H2,1-2H3,(H,20,27)(H2,19,21,22,23,24,25)/t12-,13+,15?.
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]acetamide?
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]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.37, 4 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]acetamide is sourced from PubChem (CID 11997667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).