8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H26F2N6O3 — CID 118144781

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN2CCC(O)C2)c1
InChIInChI=1S/C25H26F2N6O3/c1-16-23(25(35)30-17-12-28-32(13-17)11-10-31-9-7-18(34)14-31)33-8-3-6-22(24(33)29-16)36-15-19-20(26)4-2-5-21(19)27/h2-6,8,12-13,18,34H,7,9-11,14-15H2,1H3,(H,30,35)
InChIKeyCLGPIYPNKJHFTR-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.02
Rot. Bonds8

About 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144781) has the molecular formula C25H26F2N6O3 and a molecular weight of 496.52 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144781
Molecular FormulaC25H26F2N6O3
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN2CCC(O)C2)c1
InChIInChI=1S/C25H26F2N6O3/c1-16-23(25(35)30-17-12-28-32(13-17)11-10-31-9-7-18(34)14-31)33-8-3-6-22(24(33)29-16)36-15-19-20(26)4-2-5-21(19)27/h2-6,8,12-13,18,34H,7,9-11,14-15H2,1H3,(H,30,35)
InChIKeyCLGPIYPNKJHFTR-UHFFFAOYSA-N
XLogP3.02
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144781) is 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN2CCC(O)C2)c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CLGPIYPNKJHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O3/c1-16-23(25(35)30-17-12-28-32(13-17)11-10-31-9-7-18(34)14-31)33-8-3-6-22(24(33)29-16)36-15-19-20(26)4-2-5-21(19)27/h2-6,8,12-13,18,34H,7,9-11,14-15H2,1H3,(H,30,35).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 496.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).