6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H18ClF2N5O2 — CID 118144956

IUPAC6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1c(C)nc2c(OCc3cccc(F)c3F)cc(Cl)cn12
InChIInChI=1S/C21H18ClF2N5O2/c1-10-18(11(2)28-27-10)26-21(30)19-12(3)25-20-16(7-14(22)8-29(19)20)31-9-13-5-4-6-15(23)17(13)24/h4-8H,9H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyOWWUNFXRZVZDTD-UHFFFAOYSA-N
MW445.86 g/mol
LogP4.75
Rot. Bonds5

About 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144956) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144956
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Name6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1c(C)nc2c(OCc3cccc(F)c3F)cc(Cl)cn12
InChIInChI=1S/C21H18ClF2N5O2/c1-10-18(11(2)28-27-10)26-21(30)19-12(3)25-20-16(7-14(22)8-29(19)20)31-9-13-5-4-6-15(23)17(13)24/h4-8H,9H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyOWWUNFXRZVZDTD-UHFFFAOYSA-N
XLogP4.75
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144956) is 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1c(C)nc2c(OCc3cccc(F)c3F)cc(Cl)cn12.
What is the InChIKey of 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OWWUNFXRZVZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-10-18(11(2)28-27-10)26-21(30)19-12(3)25-20-16(7-14(22)8-29(19)20)31-9-13-5-4-6-15(23)17(13)24/h4-8H,9H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,3-difluorophenyl)methoxy]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).