[(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

C24H26FN9O2 — CID 169141807

IUPAC[(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
SMILESCn1cc(-c2cn3nccc3c(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n2)cn1
InChIInChI=1S/C24H26FN9O2/c1-33-11-15(10-27-33)18-12-34-19(2-3-26-34)22(28-18)29-21-6-17(31-32-21)14-4-16(25)20(5-14)36-23(35)30-24-7-13(8-24)9-24/h2-3,6,10-14,16,20H,4-5,7-9H2,1H3,(H,30,35)(H2,28,29,31,32)/t13?,14-,16+,20-,24?/m0/s1
InChIKeyARXGNOFXGJJDJH-MDNYSKHBSA-N
MW491.53 g/mol
LogP3.46
Rot. Bonds6

About [(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

[(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 (PubChem CID 169141807) has the molecular formula C24H26FN9O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID169141807
Molecular FormulaC24H26FN9O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name[(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
SMILESCn1cc(-c2cn3nccc3c(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n2)cn1
InChIInChI=1S/C24H26FN9O2/c1-33-11-15(10-27-33)18-12-34-19(2-3-26-34)22(28-18)29-21-6-17(31-32-21)14-4-16(25)20(5-14)36-23(35)30-24-7-13(8-24)9-24/h2-3,6,10-14,16,20H,4-5,7-9H2,1H3,(H,30,35)(H2,28,29,31,32)/t13?,14-,16+,20-,24?/m0/s1
InChIKeyARXGNOFXGJJDJH-MDNYSKHBSA-N
XLogP3.46
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(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 with MolForge

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Related Compounds

[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169142346
[(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
[(3S,4S,5S)-5-[3-[[2-chloro-6-(3-cyanophenyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170112021
[(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
[(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
[(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
[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-[[2-(2,2-difluoroethoxy)-8-[5-[(2R,3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)carbamoyloxy]oxolan-2-yl]-3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-2-ium-2-yl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169143667
[(1S,2S,4S)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141808
[(1S,2S,3S)-2-fluoro-3-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170118794
[(1R,2S,4S)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142650

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cn1cc(-c2cn3nccc3c(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC56CC(C5)C6)C4)[nH]n3)n2)cn1.
What is the InChIKey of [(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?
The InChIKey is ARXGNOFXGJJDJH-MDNYSKHBSA-N. The full InChI is InChI=1S/C24H26FN9O2/c1-33-11-15(10-27-33)18-12-34-19(2-3-26-34)22(28-18)29-21-6-17(31-32-21)14-4-16(25)20(5-14)36-23(35)30-24-7-13(8-24)9-24/h2-3,6,10-14,16,20H,4-5,7-9H2,1H3,(H,30,35)(H2,28,29,31,32)/t13?,14-,16+,20-,24?/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 491.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 169141807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).