N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H22N6O2 — CID 58374598

IUPACN-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-31-21-12-11-18(14-25-21)24-13-15-5-7-16(8-6-15)19-3-2-4-20-26-23(28-29(19)20)27-22(30)17-9-10-17/h2-8,11-12,14,17,24H,9-10,13H2,1H3,(H,27,28,30)
InChIKeyQFTMRCYXMXMTET-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.76
Rot. Bonds7

About N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374598) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374598
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-31-21-12-11-18(14-25-21)24-13-15-5-7-16(8-6-15)19-3-2-4-20-26-23(28-29(19)20)27-22(30)17-9-10-17/h2-8,11-12,14,17,24H,9-10,13H2,1H3,(H,27,28,30)
InChIKeyQFTMRCYXMXMTET-UHFFFAOYSA-N
XLogP3.76
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
2-[4-[4-[[7-(6-Methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57397964
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
2-[4-[4-[[7-(2-Methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57403118
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
Cyclopropanecarboxylic acid [5-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amide
CID 24798571
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-[5-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42599880

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374598) is N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is COc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1.
What is the InChIKey of N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QFTMRCYXMXMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-31-21-12-11-18(14-25-21)24-13-15-5-7-16(8-6-15)19-3-2-4-20-26-23(28-29(19)20)27-22(30)17-9-10-17/h2-8,11-12,14,17,24H,9-10,13H2,1H3,(H,27,28,30).
What are the key properties of N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).