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

C28H27N5O2 — CID 168678806

IUPAC3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2ccc(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C28H27N5O2/c1-3-24-25-17-20(27(34)30-23-18-29-32(4-2)19-23)15-16-33(25)31-26(24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyRNALTKFPTPXVGT-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.65
Rot. Bonds7

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

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 168678806) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID168678806
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2ccc(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C28H27N5O2/c1-3-24-25-17-20(27(34)30-23-18-29-32(4-2)19-23)15-16-33(25)31-26(24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyRNALTKFPTPXVGT-UHFFFAOYSA-N
XLogP4.65
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91864709
WT IDH1 Inhibitor 2
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CID 146386401
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1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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US10072005, Example 57
CID 117973700
1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hydroxy-1-(pyridin-4-yl)propyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355890
1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hydroxy-1-(pyridin-2-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 168678806) is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2ccc(C(=O)Nc3cnn(CC)c3)cc12.
What is the InChIKey of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is RNALTKFPTPXVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-3-24-25-17-20(27(34)30-23-18-29-32(4-2)19-23)15-16-33(25)31-26(24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34).
What are the key properties of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 168678806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).