N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

C25H22F2N6O — CID 170240883

IUPACN-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CCCC4(F)F)n3)n2cc1-c1cnn2ccccc12
InChIInChI=1S/C25H22F2N6O/c1-34-21-12-24-28-14-20(18-6-4-9-23(30-18)31-22-8-5-10-25(22,26)27)32(24)15-17(21)16-13-29-33-11-3-2-7-19(16)33/h2-4,6-7,9,11-15,22H,5,8,10H2,1H3,(H,30,31)
InChIKeyUTUIWEIILVMUFN-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.32
Rot. Bonds5

About N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 170240883) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID170240883
Molecular FormulaC25H22F2N6O
Molecular Weight460.49 g/mol
Exact Mass460.18
IUPAC NameN-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(NC4CCCC4(F)F)n3)n2cc1-c1cnn2ccccc12
InChIInChI=1S/C25H22F2N6O/c1-34-21-12-24-28-14-20(18-6-4-9-23(30-18)31-22-8-5-10-25(22,26)27)32(24)15-17(21)16-13-29-33-11-3-2-7-19(16)33/h2-4,6-7,9,11-15,22H,5,8,10H2,1H3,(H,30,31)
InChIKeyUTUIWEIILVMUFN-UHFFFAOYSA-N
XLogP5.32
TPSA68.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 170240883) is N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is COc1cc2ncc(-c3cccc(NC4CCCC4(F)F)n3)n2cc1-c1cnn2ccccc12.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is UTUIWEIILVMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O/c1-34-21-12-24-28-14-20(18-6-4-9-23(30-18)31-22-8-5-10-25(22,26)27)32(24)15-17(21)16-13-29-33-11-3-2-7-19(16)33/h2-4,6-7,9,11-15,22H,5,8,10H2,1H3,(H,30,31).
What are the key properties of N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 460.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-6-(7-methoxy-6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 170240883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).