N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C19H19N7O — CID 135948865

IUPACN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)ccc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C19H19N7O/c1-3-16(25-7-9-27-10-8-25)4-2-15(1)24-17-5-6-18(14-11-21-22-12-14)26-19(17)20-13-23-26/h1-6,11-13,24H,7-10H2,(H,21,22)
InChIKeyNGINLVQDJWNSLQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.70
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 135948865) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID135948865
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)ccc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C19H19N7O/c1-3-16(25-7-9-27-10-8-25)4-2-15(1)24-17-5-6-18(14-11-21-22-12-14)26-19(17)20-13-23-26/h1-6,11-13,24H,7-10H2,(H,21,22)
InChIKeyNGINLVQDJWNSLQ-UHFFFAOYSA-N
XLogP2.70
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 24947567
N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979637
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900400
2-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5H-furo[2,3-c]pyrrol-4-ol
CID 136651861
N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900472
1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258
5-(1H-pyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 141190484
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide
CID 135979616
N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
CID 117078244
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
8-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494302

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 135948865) is N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is c1nc2c(Nc3ccc(N4CCOCC4)cc3)ccc(-c3cn[nH]c3)n2n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is NGINLVQDJWNSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-3-16(25-7-9-27-10-8-25)4-2-15(1)24-17-5-6-18(14-11-21-22-12-14)26-19(17)20-13-23-26/h1-6,11-13,24H,7-10H2,(H,21,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 361.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 135948865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).