5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide

C18H22N6O — CID 127446371

IUPAC5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)NC2CCCn3nc(C(C)C)nc32)c2[nH]ncc2c1
InChIInChI=1S/C18H22N6O/c1-10(2)16-21-17-14(5-4-6-24(17)23-16)20-18(25)13-8-11(3)7-12-9-19-22-15(12)13/h7-10,14H,4-6H2,1-3H3,(H,19,22)(H,20,25)
InChIKeyNJBSTQUNJYVXFD-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.85
Rot. Bonds3

About 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide

5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide (PubChem CID 127446371) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
PubChem CID127446371
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)NC2CCCn3nc(C(C)C)nc32)c2[nH]ncc2c1
InChIInChI=1S/C18H22N6O/c1-10(2)16-21-17-14(5-4-6-24(17)23-16)20-18(25)13-8-11(3)7-12-9-19-22-15(12)13/h7-10,14H,4-6H2,1-3H3,(H,19,22)(H,20,25)
InChIKeyNJBSTQUNJYVXFD-UHFFFAOYSA-N
XLogP2.85
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide?
The IUPAC name of 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide (CID 127446371) is 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide?
The canonical SMILES for 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide is Cc1cc(C(=O)NC2CCCn3nc(C(C)C)nc32)c2[nH]ncc2c1.
What is the InChIKey of 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide?
The InChIKey is NJBSTQUNJYVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-10(2)16-21-17-14(5-4-6-24(17)23-16)20-18(25)13-8-11(3)7-12-9-19-22-15(12)13/h7-10,14H,4-6H2,1-3H3,(H,19,22)(H,20,25).
What are the key properties of 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide?
5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide is sourced from PubChem (CID 127446371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).