4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C18H20N6O — CID 117076740

IUPAC4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESNc1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C18H20N6O/c19-17-6-8-24(22-17)16-5-7-20-18(13-16)21-14-1-3-15(4-2-14)23-9-11-25-12-10-23/h1-8,13H,9-12H2,(H2,19,22)(H,20,21)
InChIKeyBNPCOFGUGBDMNO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.43
Rot. Bonds4

About 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 117076740) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID117076740
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESNc1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C18H20N6O/c19-17-6-8-24(22-17)16-5-7-20-18(13-16)21-14-1-3-15(4-2-14)23-9-11-25-12-10-23/h1-8,13H,9-12H2,(H2,19,22)(H,20,21)
InChIKeyBNPCOFGUGBDMNO-UHFFFAOYSA-N
XLogP2.43
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.43
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

2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 117076864
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117076685
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
N-(4-morpholin-4-ylphenyl)-4-(2-phenylimidazol-1-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 117076818
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 117076740) is 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Nc1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is BNPCOFGUGBDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-17-6-8-24(22-17)16-5-7-20-18(13-16)21-14-1-3-15(4-2-14)23-9-11-25-12-10-23/h1-8,13H,9-12H2,(H2,19,22)(H,20,21).
What are the key properties of 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 117076740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).