Skip to content

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

C21H21F4N7O2 — CID 169141254

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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(C(F)(F)F)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C21H21F4N7O2/c22-17-11(1-2-13(17)34-19(33)29-20-6-10(7-20)8-20)12-5-15(31-30-12)28-18-26-4-3-16-27-14(9-32(16)18)21(23,24)25/h3-5,9-11,13,17H,1-2,6-8H2,(H,29,33)(H2,26,28,30,31)/t10?,11-,13-,17+,20?/m1/s1
InChIKeyZIWAMHGXNDLYMH-CPNKDRJLSA-N
MW479.44 g/mol
LogP4.08
Rot. Bonds5

About [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169141254) has the molecular formula C21H21F4N7O2 and a molecular weight of 479.44 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169141254
Molecular FormulaC21H21F4N7O2
Molecular Weight479.44 g/mol
Exact Mass479.17
IUPAC Name[(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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(C(F)(F)F)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C21H21F4N7O2/c22-17-11(1-2-13(17)34-19(33)29-20-6-10(7-20)8-20)12-5-15(31-30-12)28-18-26-4-3-16-27-14(9-32(16)18)21(23,24)25/h3-5,9-11,13,17H,1-2,6-8H2,(H,29,33)(H2,26,28,30,31)/t10?,11-,13-,17+,20?/m1/s1
InChIKeyZIWAMHGXNDLYMH-CPNKDRJLSA-N
XLogP4.08
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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-(trifluoromethyl)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-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169141254) is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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-(trifluoromethyl)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-(trifluoromethyl)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(C(F)(F)F)cn34)n[nH]2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is ZIWAMHGXNDLYMH-CPNKDRJLSA-N. The full InChI is InChI=1S/C21H21F4N7O2/c22-17-11(1-2-13(17)34-19(33)29-20-6-10(7-20)8-20)12-5-15(31-30-12)28-18-26-4-3-16-27-14(9-32(16)18)21(23,24)25/h3-5,9-11,13,17H,1-2,6-8H2,(H,29,33)(H2,26,28,30,31)/t10?,11-,13-,17+,20?/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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-(trifluoromethyl)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 479.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)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 169141254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.