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

C19H24N8O — CID 159357823

IUPAC4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one;molecular hydrogen
SMILESCc1[nH]nc2cc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)ccc12.[H][H].[H][H]
InChIInChI=1S/C19H20N8O.2H2/c1-12-15-6-5-13(9-16(15)24-23-12)21-19-22-17-4-2-3-14(27(17)25-19)10-26-8-7-20-18(28)11-26;;/h2-6,9H,7-8,10-11H2,1H3,(H,20,28)(H,21,25)(H,23,24);2*1H
InChIKeyLIDNAIJABDWTJA-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.08
Rot. Bonds4

About 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

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 (PubChem CID 159357823) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one;molecular hydrogen
PubChem CID159357823
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one;molecular hydrogen
SMILESCc1[nH]nc2cc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)ccc12.[H][H].[H][H]
InChIInChI=1S/C19H20N8O.2H2/c1-12-15-6-5-13(9-16(15)24-23-12)21-19-22-17-4-2-3-14(27(17)25-19)10-26-8-7-20-18(28)11-26;;/h2-6,9H,7-8,10-11H2,1H3,(H,20,28)(H,21,25)(H,23,24);2*1H
InChIKeyLIDNAIJABDWTJA-UHFFFAOYSA-N
XLogP2.08
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc2cc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)ccc12.[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is LIDNAIJABDWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O.2H2/c1-12-15-6-5-13(9-16(15)24-23-12)21-19-22-17-4-2-3-14(27(17)25-19)10-26-8-7-20-18(28)11-26;;/h2-6,9H,7-8,10-11H2,1H3,(H,20,28)(H,21,25)(H,23,24);2*1H.
What are the key properties of 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?
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 has a molecular weight of 380.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159357823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).