N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H18F3N5O — CID 122510965

IUPACN-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C22H18F3N5O/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31)
InChIKeyDLDAIECUDPBQEV-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.16
Rot. Bonds6

About N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510965) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510965
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC NameN-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C22H18F3N5O/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31)
InChIKeyDLDAIECUDPBQEV-UHFFFAOYSA-N
XLogP4.16
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510965) is N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DLDAIECUDPBQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31).
What are the key properties of N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).