[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C22H28FN7O3 — CID 169140858

About [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140858) has the molecular formula C22H28FN7O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169140858
• Molecular Formula: C22H28FN7O3
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.22
• IUPAC Name: [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C)cc2n1
• InChI: InChI=1S/C22H28FN7O3/c1-12-8-18-25-13(11-32-3)10-30(18)20(24-12)26-17-9-15(28-29-17)14-4-5-16(19(14)23)33-21(31)27-22(2)6-7-22/h8-10,14,16,19H,4-7,11H2,1-3H3,(H,27,31)(H2,24,26,28,29)/t14-,16-,19+/m0/s1
• InChIKey: YNDYMOFSGHJNQM-URLQWDBASA-N
• XLogP: 3.51
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169140858) is [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C)cc2n1.

What is the InChIKey of [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is YNDYMOFSGHJNQM-URLQWDBASA-N. The full InChI is InChI=1S/C22H28FN7O3/c1-12-8-18-25-13(11-32-3)10-30(18)20(24-12)26-17-9-15(28-29-17)14-4-5-16(19(14)23)33-21(31)27-22(2)6-7-22/h8-10,14,16,19H,4-7,11H2,1-3H3,(H,27,31)(H2,24,26,28,29)/t14-,16-,19+/m0/s1.

What are the key properties of [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 457.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169140858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).