N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide

C18H12ClN5O — CID 165415028

IUPACN-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cc(Cl)ncn1)c1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C18H12ClN5O/c19-16-9-17(21-11-20-16)22-18(25)13-6-7-14-8-15(23-24(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,20,21,22,25)
InChIKeyXYRWTLCJMDMHNS-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.70
Rot. Bonds3

About N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide

N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 165415028) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID165415028
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC NameN-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(Nc1cc(Cl)ncn1)c1ccc2cc(-c3ccccc3)nn2c1
InChIInChI=1S/C18H12ClN5O/c19-16-9-17(21-11-20-16)22-18(25)13-6-7-14-8-15(23-24(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,20,21,22,25)
InChIKeyXYRWTLCJMDMHNS-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 165415028) is N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide is O=C(Nc1cc(Cl)ncn1)c1ccc2cc(-c3ccccc3)nn2c1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is XYRWTLCJMDMHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-16-9-17(21-11-20-16)22-18(25)13-6-7-14-8-15(23-24(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,20,21,22,25).
What are the key properties of N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide?
N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 165415028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).