3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C29H29N5O3 — CID 168678804

IUPAC3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C29H29N5O3/c1-4-23-25-16-24(28(35)31-22-17-30-33(5-2)18-22)26(37-3)19-34(25)32-27(23)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyDIFBQPCFQRWBHU-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.66
Rot. Bonds8

About 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 168678804) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID168678804
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C29H29N5O3/c1-4-23-25-16-24(28(35)31-22-17-30-33(5-2)18-22)26(37-3)19-34(25)32-27(23)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyDIFBQPCFQRWBHU-UHFFFAOYSA-N
XLogP4.66
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 168678814
5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 168678854
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340226
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 168678804) is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12.
What is the InChIKey of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is DIFBQPCFQRWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-4-23-25-16-24(28(35)31-22-17-30-33(5-2)18-22)26(37-3)19-34(25)32-27(23)29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,36H,4-5H2,1-3H3,(H,31,35).
What are the key properties of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 168678804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).