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PYBABCZFDMOPQK-UHFFFAOYSA-N

C23H17ClF3N7O — CID 151538925

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-amino-5-(8-chloro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc2c(Cl)cc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(F)F)cn34)cn12
InChIInChI=1S/C23H17ClF3N7O/c1-11-7-29-21-15(24)6-13(9-33(11)21)19-18(12-2-4-14(25)5-3-12)32-20(28)22-31-16(10-34(19)22)23(35)30-8-17(26)27/h2-7,9-10,17H,8H2,1H3,(H2,28,32)(H,30,35)
InChIKeyPYBABCZFDMOPQK-UHFFFAOYSA-N
MW499.88 g/mol
LogP4.39
Rot. Bonds5

About PYBABCZFDMOPQK-UHFFFAOYSA-N

PYBABCZFDMOPQK-UHFFFAOYSA-N (PubChem CID 151538925) has the molecular formula C23H17ClF3N7O and a molecular weight of 499.88 g/mol. Its IUPAC name is 8-amino-5-(8-chloro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NamePYBABCZFDMOPQK-UHFFFAOYSA-N
PubChem CID151538925
Molecular FormulaC23H17ClF3N7O
Molecular Weight499.88 g/mol
Exact Mass499.11
IUPAC Name8-amino-5-(8-chloro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc2c(Cl)cc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(F)F)cn34)cn12
InChIInChI=1S/C23H17ClF3N7O/c1-11-7-29-21-15(24)6-13(9-33(11)21)19-18(12-2-4-14(25)5-3-12)32-20(28)22-31-16(10-34(19)22)23(35)30-8-17(26)27/h2-7,9-10,17H,8H2,1H3,(H2,28,32)(H,30,35)
InChIKeyPYBABCZFDMOPQK-UHFFFAOYSA-N
XLogP4.39
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.88
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of PYBABCZFDMOPQK-UHFFFAOYSA-N?
The IUPAC name of PYBABCZFDMOPQK-UHFFFAOYSA-N (CID 151538925) is 8-amino-5-(8-chloro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-(2,2-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for PYBABCZFDMOPQK-UHFFFAOYSA-N?
The canonical SMILES for PYBABCZFDMOPQK-UHFFFAOYSA-N is Cc1cnc2c(Cl)cc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(F)F)cn34)cn12.
What is the InChIKey of PYBABCZFDMOPQK-UHFFFAOYSA-N?
The InChIKey is PYBABCZFDMOPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N7O/c1-11-7-29-21-15(24)6-13(9-33(11)21)19-18(12-2-4-14(25)5-3-12)32-20(28)22-31-16(10-34(19)22)23(35)30-8-17(26)27/h2-7,9-10,17H,8H2,1H3,(H2,28,32)(H,30,35).
What are the key properties of PYBABCZFDMOPQK-UHFFFAOYSA-N?
PYBABCZFDMOPQK-UHFFFAOYSA-N has a molecular weight of 499.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for PYBABCZFDMOPQK-UHFFFAOYSA-N is sourced from PubChem (CID 151538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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