[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C25H25FN8O3 — CID 170117444

IUPAC[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1nc(Nc2cc([C@H]3OC[C@@H](OC(=O)NC45CC(C4)C5)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cccnc1
InChIInChI=1S/C25H25FN8O3/c1-13-19(15-3-2-4-27-11-15)22-28-5-6-34(22)23(29-13)30-18-7-16(32-33-18)21-20(26)17(12-36-21)37-24(35)31-25-8-14(9-25)10-25/h2-7,11,14,17,20-21H,8-10,12H2,1H3,(H,31,35)(H2,29,30,32,33)/t14?,17-,20+,21-,25?/m1/s1
InChIKeyBJSOODIHMCOLMU-FHDNHWRPSA-N
MW504.53 g/mol
LogP3.62
Rot. Bonds6

About [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 170117444) has the molecular formula C25H25FN8O3 and a molecular weight of 504.53 g/mol. Its IUPAC name is [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID170117444
Molecular FormulaC25H25FN8O3
Molecular Weight504.53 g/mol
Exact Mass504.20
IUPAC Name[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCc1nc(Nc2cc([C@H]3OC[C@@H](OC(=O)NC45CC(C4)C5)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cccnc1
InChIInChI=1S/C25H25FN8O3/c1-13-19(15-3-2-4-27-11-15)22-28-5-6-34(22)23(29-13)30-18-7-16(32-33-18)21-20(26)17(12-36-21)37-24(35)31-25-8-14(9-25)10-25/h2-7,11,14,17,20-21H,8-10,12H2,1H3,(H,31,35)(H2,29,30,32,33)/t14?,17-,20+,21-,25?/m1/s1
InChIKeyBJSOODIHMCOLMU-FHDNHWRPSA-N
XLogP3.62
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 170117444) is [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1nc(Nc2cc([C@H]3OC[C@@H](OC(=O)NC45CC(C4)C5)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cccnc1.
What is the InChIKey of [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 BJSOODIHMCOLMU-FHDNHWRPSA-N. The full InChI is InChI=1S/C25H25FN8O3/c1-13-19(15-3-2-4-27-11-15)22-28-5-6-34(22)23(29-13)30-18-7-16(32-33-18)21-20(26)17(12-36-21)37-24(35)31-25-8-14(9-25)10-25/h2-7,11,14,17,20-21H,8-10,12H2,1H3,(H,31,35)(H2,29,30,32,33)/t14?,17-,20+,21-,25?/m1/s1.
What are the key properties of [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 504.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-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 170117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).