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

C23H28FN7O4 — CID 169142396

IUPAC[(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)nc(OC)cc2n1
InChIInChI=1S/C23H28FN7O4/c1-33-11-13-10-31-18(25-13)6-19(34-2)27-21(31)26-17-5-15(29-30-17)14-3-4-16(20(14)24)35-22(32)28-23-7-12(8-23)9-23/h5-6,10,12,14,16,20H,3-4,7-9,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t12?,14-,16-,20-,23?/m0/s1
InChIKeyFZOYAZVEMCGZGT-WIJZUNFTSA-N
MW485.52 g/mol
LogP3.21
Rot. Bonds8

About [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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-[[7-methoxy-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 169142396) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169142396
Molecular FormulaC23H28FN7O4
Molecular Weight485.52 g/mol
Exact Mass485.22
IUPAC Name[(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)nc(OC)cc2n1
InChIInChI=1S/C23H28FN7O4/c1-33-11-13-10-31-18(25-13)6-19(34-2)27-21(31)26-17-5-15(29-30-17)14-3-4-16(20(14)24)35-22(32)28-23-7-12(8-23)9-23/h5-6,10,12,14,16,20H,3-4,7-9,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t12?,14-,16-,20-,23?/m0/s1
InChIKeyFZOYAZVEMCGZGT-WIJZUNFTSA-N
XLogP3.21
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142396) is [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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-[[7-methoxy-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-[[7-methoxy-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)nc(OC)cc2n1.
What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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 FZOYAZVEMCGZGT-WIJZUNFTSA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-33-11-13-10-31-18(25-13)6-19(34-2)27-21(31)26-17-5-15(29-30-17)14-3-4-16(20(14)24)35-22(32)28-23-7-12(8-23)9-23/h5-6,10,12,14,16,20H,3-4,7-9,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t12?,14-,16-,20-,23?/m0/s1.
What are the key properties of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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-[[7-methoxy-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 485.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-fluoro-3-[3-[[7-methoxy-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 169142396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).