N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

C25H17F2N7O — CID 168773021

IUPACN-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1cnc2ccc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12
InChIInChI=1S/C25H17F2N7O/c26-21(27)12-32-25(35)20-11-29-22-6-4-16(13-34(20)22)17-9-31-24-18(17)10-30-23(33-24)15-3-5-19-14(8-15)2-1-7-28-19/h1-11,13,21H,12H2,(H,32,35)(H,30,31,33)
InChIKeyKEMDOIGOOFSGGS-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.48
Rot. Bonds5

About N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 168773021) has the molecular formula C25H17F2N7O and a molecular weight of 469.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID168773021
Molecular FormulaC25H17F2N7O
Molecular Weight469.46 g/mol
Exact Mass469.15
IUPAC NameN-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1cnc2ccc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12
InChIInChI=1S/C25H17F2N7O/c26-21(27)12-32-25(35)20-11-29-22-6-4-16(13-34(20)22)17-9-31-24-18(17)10-30-23(33-24)15-3-5-19-14(8-15)2-1-7-28-19/h1-11,13,21H,12H2,(H,32,35)(H,30,31,33)
InChIKeyKEMDOIGOOFSGGS-UHFFFAOYSA-N
XLogP4.48
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 168773021) is N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC(F)F)c1cnc2ccc(-c3c[nH]c4nc(-c5ccc6ncccc6c5)ncc34)cn12.
What is the InChIKey of N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KEMDOIGOOFSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N7O/c26-21(27)12-32-25(35)20-11-29-22-6-4-16(13-34(20)22)17-9-31-24-18(17)10-30-23(33-24)15-3-5-19-14(8-15)2-1-7-28-19/h1-11,13,21H,12H2,(H,32,35)(H,30,31,33).
What are the key properties of N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).