3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C30H31F2N3O2 — CID 162773884

IUPAC3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(C2(NC(=O)c3ccc4c(-c5c(F)cccc5F)c(C)nn4c3C(C)C)CCOCC2)cc1
InChIInChI=1S/C30H31F2N3O2/c1-18(2)28-22(29(36)33-30(14-16-37-17-15-30)21-10-8-19(3)9-11-21)12-13-25-26(20(4)34-35(25)28)27-23(31)6-5-7-24(27)32/h5-13,18H,14-17H2,1-4H3,(H,33,36)
InChIKeyGUTKDEYUOYUIHD-UHFFFAOYSA-N
MW503.59 g/mol
LogP6.46
Rot. Bonds5

About 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 162773884) has the molecular formula C30H31F2N3O2 and a molecular weight of 503.59 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID162773884
Molecular FormulaC30H31F2N3O2
Molecular Weight503.59 g/mol
Exact Mass503.24
IUPAC Name3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(C2(NC(=O)c3ccc4c(-c5c(F)cccc5F)c(C)nn4c3C(C)C)CCOCC2)cc1
InChIInChI=1S/C30H31F2N3O2/c1-18(2)28-22(29(36)33-30(14-16-37-17-15-30)21-10-8-19(3)9-11-21)12-13-25-26(20(4)34-35(25)28)27-23(31)6-5-7-24(27)32/h5-13,18H,14-17H2,1-4H3,(H,33,36)
InChIKeyGUTKDEYUOYUIHD-UHFFFAOYSA-N
XLogP6.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluorophenyl)-2-methyl-N-(4-methyloxan-4-yl)-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773874
3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773859
3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773853
3-(2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 153392892
[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 162773985
3-(2,6-difluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773976
N-[cyclopropyl(phenyl)methyl]-3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773854
3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 177097844
3-(2,6-difluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773872
3-(2,6-difluorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773965
3-(2,6-difluorophenyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
CID 129434086

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 162773884) is 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1ccc(C2(NC(=O)c3ccc4c(-c5c(F)cccc5F)c(C)nn4c3C(C)C)CCOCC2)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is GUTKDEYUOYUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O2/c1-18(2)28-22(29(36)33-30(14-16-37-17-15-30)21-10-8-19(3)9-11-21)12-13-25-26(20(4)34-35(25)28)27-23(31)6-5-7-24(27)32/h5-13,18H,14-17H2,1-4H3,(H,33,36).
What are the key properties of 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 503.59 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 162773884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).