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

C27H25ClN6O2 — CID 162679319

IUPAC6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H25ClN6O2/c1-3-20-23-15-21(25(35)30-26-29-17-33(4-2)32-26)22(28)16-34(23)31-24(20)27(36,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,36H,3-4H2,1-2H3,(H,30,32,35)
InChIKeyWLUNFHGEBAZYCQ-UHFFFAOYSA-N
MW500.99 g/mol
LogP4.70
Rot. Bonds7

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

6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 162679319) has the molecular formula C27H25ClN6O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID162679319
Molecular FormulaC27H25ClN6O2
Molecular Weight500.99 g/mol
Exact Mass500.17
IUPAC Name6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H25ClN6O2/c1-3-20-23-15-21(25(35)30-26-29-17-33(4-2)32-26)22(28)16-34(23)31-24(20)27(36,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,36H,3-4H2,1-2H3,(H,30,32,35)
InChIKeyWLUNFHGEBAZYCQ-UHFFFAOYSA-N
XLogP4.70
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 162679319) is 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12.
What is the InChIKey of 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is WLUNFHGEBAZYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O2/c1-3-20-23-15-21(25(35)30-26-29-17-33(4-2)32-26)22(28)16-34(23)31-24(20)27(36,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,36H,3-4H2,1-2H3,(H,30,32,35).
What are the key properties of 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 162679319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).