[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C24H25N9O2 — CID 169142780

IUPAC[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)OC1CCC(c2cc(Nc3nc(-c4cncnc4)cc4nccn34)n[nH]2)C1
InChIInChI=1S/C24H25N9O2/c34-23(30-24-8-14(9-24)10-24)35-17-2-1-15(5-17)19-6-20(32-31-19)29-22-28-18(16-11-25-13-26-12-16)7-21-27-3-4-33(21)22/h3-4,6-7,11-15,17H,1-2,5,8-10H2,(H,30,34)(H2,28,29,31,32)
InChIKeyAQKXZWIXASDCFO-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.57
Rot. Bonds6

About [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142780) has the molecular formula C24H25N9O2 and a molecular weight of 471.53 g/mol. Its IUPAC name is [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169142780
Molecular FormulaC24H25N9O2
Molecular Weight471.53 g/mol
Exact Mass471.21
IUPAC Name[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)OC1CCC(c2cc(Nc3nc(-c4cncnc4)cc4nccn34)n[nH]2)C1
InChIInChI=1S/C24H25N9O2/c34-23(30-24-8-14(9-24)10-24)35-17-2-1-15(5-17)19-6-20(32-31-19)29-22-28-18(16-11-25-13-26-12-16)7-21-27-3-4-33(21)22/h3-4,6-7,11-15,17H,1-2,5,8-10H2,(H,30,34)(H2,28,29,31,32)
InChIKeyAQKXZWIXASDCFO-UHFFFAOYSA-N
XLogP3.57
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[(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
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298863
[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170122760
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]acetamide
CID 59298957
[(1R,3S)-3-[3-[[3-methyl-5-(methylcarbamoyl)pyrazin-2-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 176725922
[3-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142613
[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 170118895
[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142559
[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170117444
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299033
[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143340
[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141887

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142780) is [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)OC1CCC(c2cc(Nc3nc(-c4cncnc4)cc4nccn34)n[nH]2)C1.
What is the InChIKey of [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is AQKXZWIXASDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O2/c34-23(30-24-8-14(9-24)10-24)35-17-2-1-15(5-17)19-6-20(32-31-19)29-22-28-18(16-11-25-13-26-12-16)7-21-27-3-4-33(21)22/h3-4,6-7,11-15,17H,1-2,5,8-10H2,(H,30,34)(H2,28,29,31,32).
What are the key properties of [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 471.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).