[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C25H24F3N7O2 — CID 170118895

IUPAC[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nc(-c5cc(F)cc(F)c5)cc5nccn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C25H24F3N7O2/c1-25(4-5-25)32-24(36)37-19-3-2-16(22(19)28)18-11-20(34-33-18)31-23-30-17(12-21-29-6-7-35(21)23)13-8-14(26)10-15(27)9-13/h6-12,16,19,22H,2-5H2,1H3,(H,32,36)(H2,30,31,33,34)/t16-,19-,22-/m1/s1
InChIKeyIVMQBSULLSKJLT-ZWDAVXSWSA-N
MW511.51 g/mol
LogP5.00
Rot. Bonds6

About [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170118895) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170118895
Molecular FormulaC25H24F3N7O2
Molecular Weight511.51 g/mol
Exact Mass511.19
IUPAC Name[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nc(-c5cc(F)cc(F)c5)cc5nccn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C25H24F3N7O2/c1-25(4-5-25)32-24(36)37-19-3-2-16(22(19)28)18-11-20(34-33-18)31-23-30-17(12-21-29-6-7-35(21)23)13-8-14(26)10-15(27)9-13/h6-12,16,19,22H,2-5H2,1H3,(H,32,36)(H2,30,31,33,34)/t16-,19-,22-/m1/s1
InChIKeyIVMQBSULLSKJLT-ZWDAVXSWSA-N
XLogP5.00
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.51
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170118895) is [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nc(-c5cc(F)cc(F)c5)cc5nccn45)n[nH]3)[C@H]2F)CC1.
What is the InChIKey of [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is IVMQBSULLSKJLT-ZWDAVXSWSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c1-25(4-5-25)32-24(36)37-19-3-2-16(22(19)28)18-11-20(34-33-18)31-23-30-17(12-21-29-6-7-35(21)23)13-8-14(26)10-15(27)9-13/h6-12,16,19,22H,2-5H2,1H3,(H,32,36)(H2,30,31,33,34)/t16-,19-,22-/m1/s1.
What are the key properties of [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 511.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).