2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen

C18H21N7O — CID 160871056

IUPAC2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC5CCOC5)n4n3)ccc12.[H][H]
InChIInChI=1S/C18H19N7O.H2/c1-11-14-6-5-12(9-15(14)23-22-11)20-18-21-17-4-2-3-16(25(17)24-18)19-13-7-8-26-10-13;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,24)(H,22,23);1H
InChIKeySLTKFXVOWFARHP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.10
Rot. Bonds4

About 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen

2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen (PubChem CID 160871056) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen.

Molecular Properties

Compound Name2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
PubChem CID160871056
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC5CCOC5)n4n3)ccc12.[H][H]
InChIInChI=1S/C18H19N7O.H2/c1-11-14-6-5-12(9-15(14)23-22-11)20-18-21-17-4-2-3-16(25(17)24-18)19-13-7-8-26-10-13;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,24)(H,22,23);1H
InChIKeySLTKFXVOWFARHP-UHFFFAOYSA-N
XLogP3.10
TPSA92.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen with MolForge

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Related Compounds

4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
CID 67293668
2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
CID 161420234
cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
CID 46183283
2-N-(3-methyl-2H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 141394383
2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol
CID 46183527
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one;molecular hydrogen
CID 159357823
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1H-pyridin-2-one
CID 46183523
4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276406
4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67130050
4-[[2-[(1-methylindazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276639
2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71099793
ethyl 3-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 67294184

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The IUPAC name of 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen (CID 160871056) is 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen.
What is the SMILES notation for 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The canonical SMILES for 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen is Cc1[nH]nc2cc(Nc3nc4cccc(NC5CCOC5)n4n3)ccc12.[H][H].
What is the InChIKey of 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
The InChIKey is SLTKFXVOWFARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O.H2/c1-11-14-6-5-12(9-15(14)23-22-11)20-18-21-17-4-2-3-16(25(17)24-18)19-13-7-8-26-10-13;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,24)(H,22,23);1H.
What are the key properties of 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen?
2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen has a molecular weight of 351.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen is sourced from PubChem (CID 160871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).