2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol

C18H20N6O — CID 67293178

IUPAC2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(CC(C)CO)n4n3)ccc12
InChIInChI=1S/C18H20N6O/c1-11(10-25)8-14-4-3-5-17-20-18(23-24(14)17)19-13-6-7-15-12(2)21-22-16(15)9-13/h3-7,9,11,25H,8,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyVKISMRXEQATTHZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol

2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol (PubChem CID 67293178) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol
PubChem CID67293178
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(CC(C)CO)n4n3)ccc12
InChIInChI=1S/C18H20N6O/c1-11(10-25)8-14-4-3-5-17-20-18(23-24(14)17)19-13-6-7-15-12(2)21-22-16(15)9-13/h3-7,9,11,25H,8,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyVKISMRXEQATTHZ-UHFFFAOYSA-N
XLogP2.83
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol (CID 67293178) is 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol is Cc1[nH]nc2cc(Nc3nc4cccc(CC(C)CO)n4n3)ccc12.
What is the InChIKey of 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol?
The InChIKey is VKISMRXEQATTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(10-25)8-14-4-3-5-17-20-18(23-24(14)17)19-13-6-7-15-12(2)21-22-16(15)9-13/h3-7,9,11,25H,8,10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol?
2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol has a molecular weight of 336.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol is sourced from PubChem (CID 67293178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).