N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C17H18N4O2 — CID 166296389

IUPACN-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1CCCc2c(C(=O)NCc3nc4ccccc4o3)cnn21
InChIInChI=1S/C17H18N4O2/c1-11-5-4-7-14-12(9-19-21(11)14)17(22)18-10-16-20-13-6-2-3-8-15(13)23-16/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,22)
InChIKeyWZGFGXOJCVURLT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.85
Rot. Bonds3

About N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166296389) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166296389
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1CCCc2c(C(=O)NCc3nc4ccccc4o3)cnn21
InChIInChI=1S/C17H18N4O2/c1-11-5-4-7-14-12(9-19-21(11)14)17(22)18-10-16-20-13-6-2-3-8-15(13)23-16/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,22)
InChIKeyWZGFGXOJCVURLT-UHFFFAOYSA-N
XLogP2.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 166296389) is N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC1CCCc2c(C(=O)NCc3nc4ccccc4o3)cnn21.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WZGFGXOJCVURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-5-4-7-14-12(9-19-21(11)14)17(22)18-10-16-20-13-6-2-3-8-15(13)23-16/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,22).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).