2-methoxy-N-[(1S,5R)-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

C19H22N8O2 — CID 11997665

IUPAC2-methoxy-N-[(1S,5R)-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
SMILESCOCC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12
InChIInChI=1S/C19H22N8O2/c1-10-6-14(26-25-10)21-18-11-4-3-5-20-17(11)23-19(24-18)27-7-12-13(8-27)16(12)22-15(28)9-29-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,22,28)(H2,20,21,23,24,25,26)/t12-,13+,16?
InChIKeyTVCOQMCOULYVCO-OCZCAGDBSA-N
MW394.44 g/mol
LogP1.00
Rot. Bonds6

About 2-methoxy-N-[(1S,5R)-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

2-methoxy-N-[(1S,5R)-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 11997665) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-methoxy-N-[(1S,5R)-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 Name2-methoxy-N-[(1S,5R)-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 CID11997665
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name2-methoxy-N-[(1S,5R)-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
SMILESCOCC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12
InChIInChI=1S/C19H22N8O2/c1-10-6-14(26-25-10)21-18-11-4-3-5-20-17(11)23-19(24-18)27-7-12-13(8-27)16(12)22-15(28)9-29-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,22,28)(H2,20,21,23,24,25,26)/t12-,13+,16?
InChIKeyTVCOQMCOULYVCO-OCZCAGDBSA-N
XLogP1.00
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[(1S,5R)-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

tert-butyl N-[(1S,5R)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 69078668
1-[(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]-3-propan-2-ylurea
CID 11997808
2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 166774132
methyl (1S,4S)-5-[8-methoxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 11996023
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
CID 150451383
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
O-methyl 2-[(1R,5S)-3-[[8-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]-2-oxoethanethioate
CID 169422879
9-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 175895030
methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 90246945
tert-butyl (1S,5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146644843
3-[(1S,5R)-3-[[8-methoxy-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propanenitrile
CID 146645169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S,5R)-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 2-methoxy-N-[(1S,5R)-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 11997665) is 2-methoxy-N-[(1S,5R)-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 2-methoxy-N-[(1S,5R)-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 2-methoxy-N-[(1S,5R)-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 COCC(=O)NC1[C@H]2CN(c3nc(Nc4cc(C)[nH]n4)c4cccnc4n3)C[C@@H]12.
What is the InChIKey of 2-methoxy-N-[(1S,5R)-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 TVCOQMCOULYVCO-OCZCAGDBSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-10-6-14(26-25-10)21-18-11-4-3-5-20-17(11)23-19(24-18)27-7-12-13(8-27)16(12)22-15(28)9-29-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,22,28)(H2,20,21,23,24,25,26)/t12-,13+,16?.
What are the key properties of 2-methoxy-N-[(1S,5R)-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?
2-methoxy-N-[(1S,5R)-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 394.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S,5R)-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 11997665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).