N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide

C16H18N4OS — CID 122564605

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cc3cc(C)ccn3n2)s1
InChIInChI=1S/C16H18N4OS/c1-4-15-18-11(3)14(22-15)9-17-16(21)13-8-12-7-10(2)5-6-20(12)19-13/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyVHVUSAYVIZHIMK-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 122564605) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID122564605
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cc3cc(C)ccn3n2)s1
InChIInChI=1S/C16H18N4OS/c1-4-15-18-11(3)14(22-15)9-17-16(21)13-8-12-7-10(2)5-6-20(12)19-13/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyVHVUSAYVIZHIMK-UHFFFAOYSA-N
XLogP2.90
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide (CID 122564605) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide is CCc1nc(C)c(CNC(=O)c2cc3cc(C)ccn3n2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is VHVUSAYVIZHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-15-18-11(3)14(22-15)9-17-16(21)13-8-12-7-10(2)5-6-20(12)19-13/h5-8H,4,9H2,1-3H3,(H,17,21).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 122564605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).