N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine

C18H19N5O — CID 54586475

IUPACN-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]n1
InChIInChI=1S/C18H19N5O/c1-3-16(23-9-11-24-12-10-23)4-2-15(1)21-18-13-14(5-7-19-18)17-6-8-20-22-17/h1-8,13H,9-12H2,(H,19,21)(H,20,22)
InChIKeyBECAQPGMCODJMW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.05
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine

N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 54586475) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID54586475
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]n1
InChIInChI=1S/C18H19N5O/c1-3-16(23-9-11-24-12-10-23)4-2-15(1)21-18-13-14(5-7-19-18)17-6-8-20-22-17/h1-8,13H,9-12H2,(H,19,21)(H,20,22)
InChIKeyBECAQPGMCODJMW-UHFFFAOYSA-N
XLogP3.05
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine (CID 54586475) is N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine is c1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)[nH]n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is BECAQPGMCODJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-16(23-9-11-24-12-10-23)4-2-15(1)21-18-13-14(5-7-19-18)17-6-8-20-22-17/h1-8,13H,9-12H2,(H,19,21)(H,20,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine?
N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 54586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).