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

C23H27FN8O4 — CID 170122760

IUPAC[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(N4CCOCC4)cc4nccn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C23H27FN8O4/c24-19-15(36-22(33)28-23-9-13(10-23)11-23)12-35-20(19)14-7-16(30-29-14)26-21-27-18(31-3-5-34-6-4-31)8-17-25-1-2-32(17)21/h1-2,7-8,13,15,19-20H,3-6,9-12H2,(H,28,33)(H2,26,27,29,30)/t13?,15-,19+,20-,23?/m0/s1
InChIKeyMWGZXROXVXLZHR-PCJMWGJNSA-N
MW498.52 g/mol
LogP2.09
Rot. Bonds6

About [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 170122760) has the molecular formula C23H27FN8O4 and a molecular weight of 498.52 g/mol. Its IUPAC name is [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID170122760
Molecular FormulaC23H27FN8O4
Molecular Weight498.52 g/mol
Exact Mass498.21
IUPAC Name[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(N4CCOCC4)cc4nccn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C23H27FN8O4/c24-19-15(36-22(33)28-23-9-13(10-23)11-23)12-35-20(19)14-7-16(30-29-14)26-21-27-18(31-3-5-34-6-4-31)8-17-25-1-2-32(17)21/h1-2,7-8,13,15,19-20H,3-6,9-12H2,(H,28,33)(H2,26,27,29,30)/t13?,15-,19+,20-,23?/m0/s1
InChIKeyMWGZXROXVXLZHR-PCJMWGJNSA-N
XLogP2.09
TPSA130.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 170122760) is [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(N4CCOCC4)cc4nccn34)n[nH]2)[C@@H]1F.
What is the InChIKey of [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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 MWGZXROXVXLZHR-PCJMWGJNSA-N. The full InChI is InChI=1S/C23H27FN8O4/c24-19-15(36-22(33)28-23-9-13(10-23)11-23)12-35-20(19)14-7-16(30-29-14)26-21-27-18(31-3-5-34-6-4-31)8-17-25-1-2-32(17)21/h1-2,7-8,13,15,19-20H,3-6,9-12H2,(H,28,33)(H2,26,27,29,30)/t13?,15-,19+,20-,23?/m0/s1.
What are the key properties of [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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 498.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[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 170122760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).