[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

C24H30FN9O2 — CID 169141059

IUPAC[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESCc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cnn(C)c1C
InChIInChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-18-7-6-15(21(18)25)17-10-19(32-31-17)30-23-29-13(3)20(22-26-8-9-34(22)23)16-11-27-33(5)14(16)4/h8-12,15,18,21H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,18-,21-/m1/s1
InChIKeyXODJRBCDJNHKJX-FQELHTAISA-N
MW495.56 g/mol
LogP3.93
Rot. Bonds6

About [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169141059) has the molecular formula C24H30FN9O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
PubChem CID169141059
Molecular FormulaC24H30FN9O2
Molecular Weight495.56 g/mol
Exact Mass495.25
IUPAC Name[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESCc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cnn(C)c1C
InChIInChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-18-7-6-15(21(18)25)17-10-19(32-31-17)30-23-29-13(3)20(22-26-8-9-34(22)23)16-11-27-33(5)14(16)4/h8-12,15,18,21H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,18-,21-/m1/s1
InChIKeyXODJRBCDJNHKJX-FQELHTAISA-N
XLogP3.93
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate 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

[(1S,2S,3S)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 170113347
[(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141393
[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169143503
[(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142257
[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142284
[(1S,2R,3S)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169143218
[(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169141116
[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169143187
[(1S,2R,3S)-3-[3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169141394
[(1S,2S,3S)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169141757
[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169141046
[(1R,2R,3R)-3-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169143017

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 169141059) is [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is Cc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cnn(C)c1C.
What is the InChIKey of [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is XODJRBCDJNHKJX-FQELHTAISA-N. The full InChI is InChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-18-7-6-15(21(18)25)17-10-19(32-31-17)30-23-29-13(3)20(22-26-8-9-34(22)23)16-11-27-33(5)14(16)4/h8-12,15,18,21H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,18-,21-/m1/s1.
What are the key properties of [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
[(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 495.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-3-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169141059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).