[(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

C23H22F4N8O3 — CID 169140769

IUPAC[(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
SMILESN#Cc1cnc(Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC45CC(C4)C5)C3)[nH]n2)n2cc(COC(F)(F)F)nc12
InChIInChI=1S/C23H22F4N8O3/c24-15-1-12(2-17(15)38-21(36)32-22-4-11(5-22)6-22)16-3-18(34-33-16)31-20-29-8-13(7-28)19-30-14(9-35(19)20)10-37-23(25,26)27/h3,8-9,11-12,15,17H,1-2,4-6,10H2,(H,32,36)(H2,29,31,33,34)/t11?,12-,15+,17-,22?/m0/s1
InChIKeyGXUSPBRZJMOGOE-LSNUEKRFSA-N
MW534.47 g/mol
LogP3.97
Rot. Bonds7

About [(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

[(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 (PubChem CID 169140769) has the molecular formula C23H22F4N8O3 and a molecular weight of 534.47 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID169140769
Molecular FormulaC23H22F4N8O3
Molecular Weight534.47 g/mol
Exact Mass534.18
IUPAC Name[(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
SMILESN#Cc1cnc(Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC45CC(C4)C5)C3)[nH]n2)n2cc(COC(F)(F)F)nc12
InChIInChI=1S/C23H22F4N8O3/c24-15-1-12(2-17(15)38-21(36)32-22-4-11(5-22)6-22)16-3-18(34-33-16)31-20-29-8-13(7-28)19-30-14(9-35(19)20)10-37-23(25,26)27/h3,8-9,11-12,15,17H,1-2,4-6,10H2,(H,32,36)(H2,29,31,33,34)/t11?,12-,15+,17-,22?/m0/s1
InChIKeyGXUSPBRZJMOGOE-LSNUEKRFSA-N
XLogP3.97
TPSA142.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is N#Cc1cnc(Nc2cc([C@H]3C[C@@H](F)[C@@H](OC(=O)NC45CC(C4)C5)C3)[nH]n2)n2cc(COC(F)(F)F)nc12.
What is the InChIKey of [(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?
The InChIKey is GXUSPBRZJMOGOE-LSNUEKRFSA-N. The full InChI is InChI=1S/C23H22F4N8O3/c24-15-1-12(2-17(15)38-21(36)32-22-4-11(5-22)6-22)16-3-18(34-33-16)31-20-29-8-13(7-28)19-30-14(9-35(19)20)10-37-23(25,26)27/h3,8-9,11-12,15,17H,1-2,4-6,10H2,(H,32,36)(H2,29,31,33,34)/t11?,12-,15+,17-,22?/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 534.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 169140769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).