[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C22H25F2N7O3 — CID 169143351

About [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143351) has the molecular formula C22H25F2N7O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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: [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169143351
• Molecular Formula: C22H25F2N7O3
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.20
• IUPAC Name: [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)ncc(F)c2n1
• InChI: InChI=1S/C22H25F2N7O3/c1-33-10-12-9-31-19(26-12)14(23)8-25-20(31)27-17-4-15(29-30-17)13-2-3-16(18(13)24)34-21(32)28-22-5-11(6-22)7-22/h4,8-9,11,13,16,18H,2-3,5-7,10H2,1H3,(H,28,32)(H2,25,27,29,30)/t11?,13-,16-,18-,22?/m0/s1
• InChIKey: BBOGPJUEUNFMCK-ADVVAGBBSA-N
• XLogP: 3.34
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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 [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143351) is [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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 [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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 [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)ncc(F)c2n1.

What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is BBOGPJUEUNFMCK-ADVVAGBBSA-N. The full InChI is InChI=1S/C22H25F2N7O3/c1-33-10-12-9-31-19(26-12)14(23)8-25-20(31)27-17-4-15(29-30-17)13-2-3-16(18(13)24)34-21(32)28-22-5-11(6-22)7-22/h4,8-9,11,13,16,18H,2-3,5-7,10H2,1H3,(H,28,32)(H2,25,27,29,30)/t11?,13-,16-,18-,22?/m0/s1.

What are the key properties of [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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 473.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,3S)-2-fluoro-3-[3-[[8-fluoro-2-(methoxymethyl)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 169143351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).