[(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H25F4N7O3 — CID 169140796

IUPAC[(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n2cc(COC(F)(F)F)nc12
InChIInChI=1S/C23H25F4N7O3/c1-11-8-28-20(34-9-13(29-19(11)34)10-36-23(25,26)27)30-17-4-15(32-33-17)14-2-3-16(18(14)24)37-21(35)31-22-5-12(6-22)7-22/h4,8-9,12,14,16,18H,2-3,5-7,10H2,1H3,(H,31,35)(H2,28,30,32,33)/t12?,14-,16-,18+,22?/m1/s1
InChIKeyPGZCLXHXRKDJFB-YFKMYRKWSA-N
MW523.49 g/mol
LogP4.40
Rot. Bonds7

About [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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-[[8-methyl-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 169140796) has the molecular formula C23H25F4N7O3 and a molecular weight of 523.49 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169140796
Molecular FormulaC23H25F4N7O3
Molecular Weight523.49 g/mol
Exact Mass523.20
IUPAC Name[(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n2cc(COC(F)(F)F)nc12
InChIInChI=1S/C23H25F4N7O3/c1-11-8-28-20(34-9-13(29-19(11)34)10-36-23(25,26)27)30-17-4-15(32-33-17)14-2-3-16(18(14)24)37-21(35)31-22-5-12(6-22)7-22/h4,8-9,12,14,16,18H,2-3,5-7,10H2,1H3,(H,31,35)(H2,28,30,32,33)/t12?,14-,16-,18+,22?/m1/s1
InChIKeyPGZCLXHXRKDJFB-YFKMYRKWSA-N
XLogP4.40
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.49
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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-[[8-methyl-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-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169140796) is [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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-[[8-methyl-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-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1cnc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC45CC(C4)C5)[C@H]3F)[nH]n2)n2cc(COC(F)(F)F)nc12.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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 PGZCLXHXRKDJFB-YFKMYRKWSA-N. The full InChI is InChI=1S/C23H25F4N7O3/c1-11-8-28-20(34-9-13(29-19(11)34)10-36-23(25,26)27)30-17-4-15(32-33-17)14-2-3-16(18(14)24)37-21(35)31-22-5-12(6-22)7-22/h4,8-9,12,14,16,18H,2-3,5-7,10H2,1H3,(H,31,35)(H2,28,30,32,33)/t12?,14-,16-,18+,22?/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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-[[8-methyl-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 523.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-[3-[[8-methyl-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 169140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).