4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one

C24H27N7O — CID 24945945

IUPAC4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ncnc34)cc2)[C@@H](C)CN1C
InChIInChI=1S/C24H27N7O/c1-16-14-30(17(2)13-29(16)3)20-6-4-19(5-7-20)28-21-8-9-22(31-24(21)26-15-27-31)18-10-11-25-23(32)12-18/h4-12,15-17,28H,13-14H2,1-3H3,(H,25,32)/t16-,17+/m1/s1
InChIKeyPHPUJFJBLFKABS-SJORKVTESA-N
MW429.53 g/mol
LogP3.36
Rot. Bonds4

About 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 24945945) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID24945945
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ncnc34)cc2)[C@@H](C)CN1C
InChIInChI=1S/C24H27N7O/c1-16-14-30(17(2)13-29(16)3)20-6-4-19(5-7-20)28-21-8-9-22(31-24(21)26-15-27-31)18-10-11-25-23(32)12-18/h4-12,15-17,28H,13-14H2,1-3H3,(H,25,32)/t16-,17+/m1/s1
InChIKeyPHPUJFJBLFKABS-SJORKVTESA-N
XLogP3.36
TPSA81.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one (CID 24945945) is 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one is C[C@@H]1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ncnc34)cc2)[C@@H](C)CN1C.
What is the InChIKey of 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is PHPUJFJBLFKABS-SJORKVTESA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-14-30(17(2)13-29(16)3)20-6-4-19(5-7-20)28-21-8-9-22(31-24(21)26-15-27-31)18-10-11-25-23(32)12-18/h4-12,15-17,28H,13-14H2,1-3H3,(H,25,32)/t16-,17+/m1/s1.
What are the key properties of 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 429.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 24945945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).