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

C22H21F2N5O3 — CID 118321189

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1cnn(C)c1
InChIInChI=1S/C22H21F2N5O3/c1-13-20(22(31)27-18(11-30)14-9-25-28(2)10-14)29-8-4-7-19(21(29)26-13)32-12-15-16(23)5-3-6-17(15)24/h3-10,18,30H,11-12H2,1-2H3,(H,27,31)
InChIKeyKTQODTACTQBGEI-UHFFFAOYSA-N
MW441.44 g/mol
LogP2.70
Rot. Bonds7

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

8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321189) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321189
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1cnn(C)c1
InChIInChI=1S/C22H21F2N5O3/c1-13-20(22(31)27-18(11-30)14-9-25-28(2)10-14)29-8-4-7-19(21(29)26-13)32-12-15-16(23)5-3-6-17(15)24/h3-10,18,30H,11-12H2,1-2H3,(H,27,31)
InChIKeyKTQODTACTQBGEI-UHFFFAOYSA-N
XLogP2.70
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321189) is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1cnn(C)c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KTQODTACTQBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-13-20(22(31)27-18(11-30)14-9-25-28(2)10-14)29-8-4-7-19(21(29)26-13)32-12-15-16(23)5-3-6-17(15)24/h3-10,18,30H,11-12H2,1-2H3,(H,27,31).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).