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

C29H29F2N3O2 — CID 162773872

IUPAC3-(2,6-difluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NC3CC(C)(C)Oc4ccccc43)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C29H29F2N3O2/c1-16(2)27-19(28(35)32-22-15-29(4,5)36-24-12-7-6-9-18(22)24)13-14-23-25(17(3)33-34(23)27)26-20(30)10-8-11-21(26)31/h6-14,16,22H,15H2,1-5H3,(H,32,35)
InChIKeyBGGKWUILQUQPMY-UHFFFAOYSA-N
MW489.57 g/mol
LogP6.74
Rot. Bonds4

About 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

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 (PubChem CID 162773872) has the molecular formula C29H29F2N3O2 and a molecular weight of 489.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID162773872
Molecular FormulaC29H29F2N3O2
Molecular Weight489.57 g/mol
Exact Mass489.22
IUPAC Name3-(2,6-difluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NC3CC(C)(C)Oc4ccccc43)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C29H29F2N3O2/c1-16(2)27-19(28(35)32-22-15-29(4,5)36-24-12-7-6-9-18(22)24)13-14-23-25(17(3)33-34(23)27)26-20(30)10-8-11-21(26)31/h6-14,16,22H,15H2,1-5H3,(H,32,35)
InChIKeyBGGKWUILQUQPMY-UHFFFAOYSA-N
XLogP6.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-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-[(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-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773967
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
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-[(1-hydroxycyclobutyl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773953
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)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773884
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)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 162773985
3-(3,5-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468101

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn2c(C(C)C)c(C(=O)NC3CC(C)(C)Oc4ccccc43)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of 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?
The InChIKey is BGGKWUILQUQPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O2/c1-16(2)27-19(28(35)32-22-15-29(4,5)36-24-12-7-6-9-18(22)24)13-14-23-25(17(3)33-34(23)27)26-20(30)10-8-11-21(26)31/h6-14,16,22H,15H2,1-5H3,(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 489.57 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).