[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H25F4N7O4 — CID 169141122

IUPAC[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n1
InChIInChI=1S/C23H25F4N7O4/c1-36-18-5-17-28-12(10-37-23(25,26)27)9-34(17)20(30-18)29-16-4-14(32-33-16)13-2-3-15(19(13)24)38-21(35)31-22-6-11(7-22)8-22/h4-5,9,11,13,15,19H,2-3,6-8,10H2,1H3,(H,31,35)(H2,29,30,32,33)/t11?,13-,15-,19+,22?/m1/s1
InChIKeyRKGPENPSIZJZLO-CCYIWUNHSA-N
MW539.49 g/mol
LogP4.10
Rot. Bonds8

About [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169141122) has the molecular formula C23H25F4N7O4 and a molecular weight of 539.49 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169141122
Molecular FormulaC23H25F4N7O4
Molecular Weight539.49 g/mol
Exact Mass539.19
IUPAC Name[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n1
InChIInChI=1S/C23H25F4N7O4/c1-36-18-5-17-28-12(10-37-23(25,26)27)9-34(17)20(30-18)29-16-4-14(32-33-16)13-2-3-15(19(13)24)38-21(35)31-22-6-11(7-22)8-22/h4-5,9,11,13,15,19H,2-3,6-8,10H2,1H3,(H,31,35)(H2,29,30,32,33)/t11?,13-,15-,19+,22?/m1/s1
InChIKeyRKGPENPSIZJZLO-CCYIWUNHSA-N
XLogP4.10
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169141122) is [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[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 [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n1.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is RKGPENPSIZJZLO-CCYIWUNHSA-N. The full InChI is InChI=1S/C23H25F4N7O4/c1-36-18-5-17-28-12(10-37-23(25,26)27)9-34(17)20(30-18)29-16-4-14(32-33-16)13-2-3-15(19(13)24)38-21(35)31-22-6-11(7-22)8-22/h4-5,9,11,13,15,19H,2-3,6-8,10H2,1H3,(H,31,35)(H2,29,30,32,33)/t11?,13-,15-,19+,22?/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[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 539.49 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[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 169141122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).