[(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C24H29FN8O4 — CID 169143084

About [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143084) has the molecular formula C24H29FN8O4 and a molecular weight of 512.55 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169143084
• Molecular Formula: C24H29FN8O4
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.23
• IUPAC Name: [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nccc4nc(CN5CCOCC5)cn34)n[nH]2)[C@H]1F
• InChI: InChI=1S/C24H29FN8O4/c25-20-17(37-23(34)29-24-8-14(9-24)10-24)13-36-21(20)16-7-18(31-30-16)28-22-26-2-1-19-27-15(12-33(19)22)11-32-3-5-35-6-4-32/h1-2,7,12,14,17,20-21H,3-6,8-11,13H2,(H,29,34)(H2,26,28,30,31)/t14?,17-,20-,21-,24?/m0/s1
• InChIKey: OHKKNKDHRZPOLT-PHBMMVAMSA-N
• XLogP: 2.08
• TPSA: 130.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143084) is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nccc4nc(CN5CCOCC5)cn34)n[nH]2)[C@H]1F.

What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is OHKKNKDHRZPOLT-PHBMMVAMSA-N. The full InChI is InChI=1S/C24H29FN8O4/c25-20-17(37-23(34)29-24-8-14(9-24)10-24)13-36-21(20)16-7-18(31-30-16)28-22-26-2-1-19-27-15(12-33(19)22)11-32-3-5-35-6-4-32/h1-2,7,12,14,17,20-21H,3-6,8-11,13H2,(H,29,34)(H2,26,28,30,31)/t14?,17-,20-,21-,24?/m0/s1.

What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 512.55 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169143084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).