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

C25H31FN8O4 — CID 169143390

About [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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 169143390) has the molecular formula C25H31FN8O4 and a molecular weight of 526.57 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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: 169143390
• Molecular Formula: C25H31FN8O4
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.25
• IUPAC Name: [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: COCC1CCN1Cc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)nccc2n1
• InChI: InChI=1S/C25H31FN8O4/c1-36-12-16-3-5-33(16)10-15-11-34-20(28-15)2-4-27-23(34)29-19-6-17(31-32-19)22-21(26)18(13-37-22)38-24(35)30-25-7-14(8-25)9-25/h2,4,6,11,14,16,18,21-22H,3,5,7-10,12-13H2,1H3,(H,30,35)(H2,27,29,31,32)/t14?,16?,18-,21-,22-,25?/m0/s1
• InChIKey: GZPVGDNSSXWFFK-GGNVKWBFSA-N
• XLogP: 2.47
• TPSA: 130.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	2.47
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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143390) is [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COCC1CCN1Cc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)nccc2n1.

What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]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 GZPVGDNSSXWFFK-GGNVKWBFSA-N. The full InChI is InChI=1S/C25H31FN8O4/c1-36-12-16-3-5-33(16)10-15-11-34-20(28-15)2-4-27-23(34)29-19-6-17(31-32-19)22-21(26)18(13-37-22)38-24(35)30-25-7-14(8-25)9-25/h2,4,6,11,14,16,18,21-22H,3,5,7-10,12-13H2,1H3,(H,30,35)(H2,27,29,31,32)/t14?,16?,18-,21-,22-,25?/m0/s1.

What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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 526.57 g/mol, XLogP of 2.47, 9 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-[[2-(methoxymethyl)azetidin-1-yl]methyl]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 169143390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).