N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

C18H17N7O — CID 90778412

IUPACN,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4cn[nH]c4)nc23)cc1
InChIInChI=1S/C18H17N7O/c1-24(2)17(26)13-7-5-12(6-8-13)15-4-3-9-25-16(15)22-18(23-25)21-14-10-19-20-11-14/h3-11H,1-2H3,(H,19,20)(H,21,23)
InChIKeyTZTXGVLVWIGIGB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.56
Rot. Bonds4

About N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (PubChem CID 90778412) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
PubChem CID90778412
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4cn[nH]c4)nc23)cc1
InChIInChI=1S/C18H17N7O/c1-24(2)17(26)13-7-5-12(6-8-13)15-4-3-9-25-16(15)22-18(23-25)21-14-10-19-20-11-14/h3-11H,1-2H3,(H,19,20)(H,21,23)
InChIKeyTZTXGVLVWIGIGB-UHFFFAOYSA-N
XLogP2.56
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (CID 90778412) is N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is CN(C)C(=O)c1ccc(-c2cccn3nc(Nc4cn[nH]c4)nc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The InChIKey is TZTXGVLVWIGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24(2)17(26)13-7-5-12(6-8-13)15-4-3-9-25-16(15)22-18(23-25)21-14-10-19-20-11-14/h3-11H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 90778412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).