[(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C22H26FN7O5 — CID 169141770

About [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)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 169141770) has the molecular formula C22H26FN7O5 and a molecular weight of 487.49 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)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: 169141770
• Molecular Formula: C22H26FN7O5
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.20
• IUPAC Name: [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)nc(OC)cc2n1
• InChI: InChI=1S/C22H26FN7O5/c1-32-9-12-8-30-16(24-12)4-17(33-2)26-20(30)25-15-3-13(28-29-15)19-18(23)14(10-34-19)35-21(31)27-22-5-11(6-22)7-22/h3-4,8,11,14,18-19H,5-7,9-10H2,1-2H3,(H,27,31)(H2,25,26,28,29)/t11?,14-,18-,19-,22?/m0/s1
• InChIKey: JNMZCPIVSSKPMG-DLQVJWGASA-N
• XLogP: 2.41
• TPSA: 136.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	2.41
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-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169141770) is [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COCc1cn2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)nc(OC)cc2n1.

What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)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 JNMZCPIVSSKPMG-DLQVJWGASA-N. The full InChI is InChI=1S/C22H26FN7O5/c1-32-9-12-8-30-16(24-12)4-17(33-2)26-20(30)25-15-3-13(28-29-15)19-18(23)14(10-34-19)35-21(31)27-22-5-11(6-22)7-22/h3-4,8,11,14,18-19H,5-7,9-10H2,1-2H3,(H,27,31)(H2,25,26,28,29)/t11?,14-,18-,19-,22?/m0/s1.

What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)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-[[7-methoxy-2-(methoxymethyl)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 487.49 g/mol, XLogP of 2.41, 8 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-[[7-methoxy-2-(methoxymethyl)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 169141770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).