3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C26H25F2N3O — CID 162773853

IUPAC3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)N[C@@H](C)c3ccccc3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C26H25F2N3O/c1-15(2)25-19(26(32)29-16(3)18-9-6-5-7-10-18)13-14-22-23(17(4)30-31(22)25)24-20(27)11-8-12-21(24)28/h5-16H,1-4H3,(H,29,32)/t16-/m0/s1
InChIKeyCQSVGFVPXJBAOL-INIZCTEOSA-N
MW433.50 g/mol
LogP6.20
Rot. Bonds5

About 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 162773853) has the molecular formula C26H25F2N3O and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID162773853
Molecular FormulaC26H25F2N3O
Molecular Weight433.50 g/mol
Exact Mass433.20
IUPAC Name3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)N[C@@H](C)c3ccccc3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C26H25F2N3O/c1-15(2)25-19(26(32)29-16(3)18-9-6-5-7-10-18)13-14-22-23(17(4)30-31(22)25)24-20(27)11-8-12-21(24)28/h5-16H,1-4H3,(H,29,32)/t16-/m0/s1
InChIKeyCQSVGFVPXJBAOL-INIZCTEOSA-N
XLogP6.20
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773953
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
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-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773965
2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7493376
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
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
[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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 162773853) is 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)N[C@@H](C)c3ccccc3)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is CQSVGFVPXJBAOL-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25F2N3O/c1-15(2)25-19(26(32)29-16(3)18-9-6-5-7-10-18)13-14-22-23(17(4)30-31(22)25)24-20(27)11-8-12-21(24)28/h5-16H,1-4H3,(H,29,32)/t16-/m0/s1.
What are the key properties of 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 162773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).