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

C21H20F2N6O2 — CID 118142683

IUPACN-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN)c1
InChIInChI=1S/C21H20F2N6O2/c1-13-19(21(30)27-14-10-25-28(11-14)9-7-24)29-8-3-6-18(20(29)26-13)31-12-15-16(22)4-2-5-17(15)23/h2-6,8,10-11H,7,9,12,24H2,1H3,(H,27,30)
InChIKeyKSVXDOUBLGMCPC-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.91
Rot. Bonds7

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

N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142683) has the molecular formula C21H20F2N6O2 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142683
Molecular FormulaC21H20F2N6O2
Molecular Weight426.43 g/mol
Exact Mass426.16
IUPAC NameN-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN)c1
InChIInChI=1S/C21H20F2N6O2/c1-13-19(21(30)27-14-10-25-28(11-14)9-7-24)29-8-3-6-18(20(29)26-13)31-12-15-16(22)4-2-5-17(15)23/h2-6,8,10-11H,7,9,12,24H2,1H3,(H,27,30)
InChIKeyKSVXDOUBLGMCPC-UHFFFAOYSA-N
XLogP2.91
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118145005
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118144800
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118144957
8-[(2,6-difluorophenyl)methoxy]-N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118144801
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118144999
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(1-methylpyrazol-4-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321213
N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide
CID 159501972
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724642
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118145001
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142683) is N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN)c1.
What is the InChIKey of N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KSVXDOUBLGMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O2/c1-13-19(21(30)27-14-10-25-28(11-14)9-7-24)29-8-3-6-18(20(29)26-13)31-12-15-16(22)4-2-5-17(15)23/h2-6,8,10-11H,7,9,12,24H2,1H3,(H,27,30).
What are the key properties of N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)pyrazol-4-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).