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

C21H18ClF2N5O3 — CID 118142829

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCO)c1
InChIInChI=1S/C21H18ClF2N5O3/c1-12-19(21(31)27-14-8-25-28(10-14)5-6-30)29-9-13(22)7-18(20(29)26-12)32-11-15-16(23)3-2-4-17(15)24/h2-4,7-10,30H,5-6,11H2,1H3,(H,27,31)
InChIKeyKJNIRNWOTCDFLY-UHFFFAOYSA-N
MW461.86 g/mol
LogP3.59
Rot. Bonds7

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

6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142829) has the molecular formula C21H18ClF2N5O3 and a molecular weight of 461.86 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142829
Molecular FormulaC21H18ClF2N5O3
Molecular Weight461.86 g/mol
Exact Mass461.11
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCO)c1
InChIInChI=1S/C21H18ClF2N5O3/c1-12-19(21(31)27-14-8-25-28(10-14)5-6-30)29-9-13(22)7-18(20(29)26-12)32-11-15-16(23)3-2-4-17(15)24/h2-4,7-10,30H,5-6,11H2,1H3,(H,27,31)
InChIKeyKJNIRNWOTCDFLY-UHFFFAOYSA-N
XLogP3.59
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142829) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCO)c1.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KJNIRNWOTCDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O3/c1-12-19(21(31)27-14-8-25-28(10-14)5-6-30)29-9-13(22)7-18(20(29)26-12)32-11-15-16(23)3-2-4-17(15)24/h2-4,7-10,30H,5-6,11H2,1H3,(H,27,31).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 461.86 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).