[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C25H25FN10O2 — CID 169141382

IUPAC[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1cn(-c2cnc(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n3cc(C#N)nc23)cn1
InChIInChI=1S/C25H25FN10O2/c1-13-10-35(12-29-13)19-9-28-23(36-11-16(8-27)30-22(19)36)31-21-4-18(33-34-21)15-2-17(26)20(3-15)38-24(37)32-25-5-14(6-25)7-25/h4,9-12,14-15,17,20H,2-3,5-7H2,1H3,(H,32,37)(H2,28,31,33,34)/t14?,15-,17+,20-,25?/m0/s1
InChIKeyLCJWTYKQIQDPOA-QXPWKILRSA-N
MW516.54 g/mol
LogP3.42
Rot. Bonds6

About [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169141382) has the molecular formula C25H25FN10O2 and a molecular weight of 516.54 g/mol. Its IUPAC name is [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169141382
Molecular FormulaC25H25FN10O2
Molecular Weight516.54 g/mol
Exact Mass516.21
IUPAC Name[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1cn(-c2cnc(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n3cc(C#N)nc23)cn1
InChIInChI=1S/C25H25FN10O2/c1-13-10-35(12-29-13)19-9-28-23(36-11-16(8-27)30-22(19)36)31-21-4-18(33-34-21)15-2-17(26)20(3-15)38-24(37)32-25-5-14(6-25)7-25/h4,9-12,14-15,17,20H,2-3,5-7H2,1H3,(H,32,37)(H2,28,31,33,34)/t14?,15-,17+,20-,25?/m0/s1
InChIKeyLCJWTYKQIQDPOA-QXPWKILRSA-N
XLogP3.42
TPSA150.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.54
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Related Compounds

[(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143599
[(1S,2R,4R)-4-[3-[[8-cyano-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169140769
[(1R,2S,3R)-3-[3-[(2-cyano-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169140916
[(1S,2R,4R)-4-[3-[[8-cyano-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169143158
[(1S,2R,4R)-4-[3-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142601
[(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142138
[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141697
[(1S,2R,4R)-2-fluoro-4-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141807
[(3S,4R,5S)-5-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143339
[(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143076
[(3S,4R,5S)-5-[3-[[8-cyano-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143648
[(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142542

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169141382) is [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1cn(-c2cnc(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n3cc(C#N)nc23)cn1.
What is the InChIKey of [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is LCJWTYKQIQDPOA-QXPWKILRSA-N. The full InChI is InChI=1S/C25H25FN10O2/c1-13-10-35(12-29-13)19-9-28-23(36-11-16(8-27)30-22(19)36)31-21-4-18(33-34-21)15-2-17(26)20(3-15)38-24(37)32-25-5-14(6-25)7-25/h4,9-12,14-15,17,20H,2-3,5-7H2,1H3,(H,32,37)(H2,28,31,33,34)/t14?,15-,17+,20-,25?/m0/s1.
What are the key properties of [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 516.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169141382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).