[(1R,2S,3R)-2-fluoro-3-[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

C27H31FN10O2 — CID 169141239

IUPAC[(1R,2S,3R)-2-fluoro-3-[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
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CN5CC(n6cccn6)C5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C27H31FN10O2/c28-24-19(2-3-21(24)40-26(39)33-27-9-16(10-27)11-27)20-8-22(35-34-20)32-25-29-6-4-23-31-17(13-37(23)25)12-36-14-18(15-36)38-7-1-5-30-38/h1,4-8,13,16,18-19,21,24H,2-3,9-12,14-15H2,(H,33,39)(H2,29,32,34,35)/t16?,19-,21-,24+,27?/m1/s1
InChIKeyJYHUNBOJGSWVHQ-UCHNGCHKSA-N
MW546.61 g/mol
LogP3.31
Rot. Bonds8

About [(1R,2S,3R)-2-fluoro-3-[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

[(1R,2S,3R)-2-fluoro-3-[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 (PubChem CID 169141239) has the molecular formula C27H31FN10O2 and a molecular weight of 546.61 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[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.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-3-[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
PubChem CID169141239
Molecular FormulaC27H31FN10O2
Molecular Weight546.61 g/mol
Exact Mass546.26
IUPAC Name[(1R,2S,3R)-2-fluoro-3-[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
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CN5CC(n6cccn6)C5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C27H31FN10O2/c28-24-19(2-3-21(24)40-26(39)33-27-9-16(10-27)11-27)20-8-22(35-34-20)32-25-29-6-4-23-31-17(13-37(23)25)12-36-14-18(15-36)38-7-1-5-30-38/h1,4-8,13,16,18-19,21,24H,2-3,9-12,14-15H2,(H,33,39)(H2,29,32,34,35)/t16?,19-,21-,24+,27?/m1/s1
InChIKeyJYHUNBOJGSWVHQ-UCHNGCHKSA-N
XLogP3.31
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.61
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(1R,2S,3R)-2-fluoro-3-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[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?
The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[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 169141239) is [(1R,2S,3R)-2-fluoro-3-[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.
What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[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?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[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 is O=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(CN5CC(n6cccn6)C5)cn34)n[nH]2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[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?
The InChIKey is JYHUNBOJGSWVHQ-UCHNGCHKSA-N. The full InChI is InChI=1S/C27H31FN10O2/c28-24-19(2-3-21(24)40-26(39)33-27-9-16(10-27)11-27)20-8-22(35-34-20)32-25-29-6-4-23-31-17(13-37(23)25)12-36-14-18(15-36)38-7-1-5-30-38/h1,4-8,13,16,18-19,21,24H,2-3,9-12,14-15H2,(H,33,39)(H2,29,32,34,35)/t16?,19-,21-,24+,27?/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-[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?
[(1R,2S,3R)-2-fluoro-3-[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 has a molecular weight of 546.61 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-[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 is sourced from PubChem (CID 169141239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).