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

C29H29F2N3O2 — CID 166973079

IUPAC3-(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
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1ccc2c(-c3c(F)cccc3F)c(C)nn2c1C(C)C
InChIInChI=1S/C29H29F2N3O2/c1-16(2)28-21(29(35)32-24-10-5-7-18-15-19(36-4)11-12-20(18)24)13-14-25-26(17(3)33-34(25)28)27-22(30)8-6-9-23(27)31/h6,8-9,11-16,24H,5,7,10H2,1-4H3,(H,32,35)
InChIKeyXRZQJUVHRAZIQJ-UHFFFAOYSA-N
MW489.57 g/mol
LogP6.53
Rot. Bonds5

About 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

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 (PubChem CID 166973079) has the molecular formula C29H29F2N3O2 and a molecular weight of 489.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID166973079
Molecular FormulaC29H29F2N3O2
Molecular Weight489.57 g/mol
Exact Mass489.22
IUPAC Name3-(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
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1ccc2c(-c3c(F)cccc3F)c(C)nn2c1C(C)C
InChIInChI=1S/C29H29F2N3O2/c1-16(2)28-21(29(35)32-24-10-5-7-18-15-19(36-4)11-12-20(18)24)13-14-25-26(17(3)33-34(25)28)27-22(30)8-6-9-23(27)31/h6,8-9,11-16,24H,5,7,10H2,1-4H3,(H,32,35)
InChIKeyXRZQJUVHRAZIQJ-UHFFFAOYSA-N
XLogP6.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)CCCC2NC(=O)c1ccc2c(-c3c(F)cccc3F)c(C)nn2c1C(C)C.
What is the InChIKey of 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?
The InChIKey is XRZQJUVHRAZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O2/c1-16(2)28-21(29(35)32-24-10-5-7-18-15-19(36-4)11-12-20(18)24)13-14-25-26(17(3)33-34(25)28)27-22(30)8-6-9-23(27)31/h6,8-9,11-16,24H,5,7,10H2,1-4H3,(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 489.57 g/mol, XLogP of 6.53, 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)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166973079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).