1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine

C20H23N5O — CID 51086139

IUPAC1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
SMILESc1cnn(-c2cc(CNCc3ccc(N4CCOCC4)cc3)ccn2)c1
InChIInChI=1S/C20H23N5O/c1-7-23-25(9-1)20-14-18(6-8-22-20)16-21-15-17-2-4-19(5-3-17)24-10-12-26-13-11-24/h1-9,14,21H,10-13,15-16H2
InChIKeyIIGHEJAHXGHRHR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine

1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine (PubChem CID 51086139) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
PubChem CID51086139
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
SMILESc1cnn(-c2cc(CNCc3ccc(N4CCOCC4)cc3)ccn2)c1
InChIInChI=1S/C20H23N5O/c1-7-23-25(9-1)20-14-18(6-8-22-20)16-21-15-17-2-4-19(5-3-17)24-10-12-26-13-11-24/h1-9,14,21H,10-13,15-16H2
InChIKeyIIGHEJAHXGHRHR-UHFFFAOYSA-N
XLogP2.39
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000
N'-methyl-4-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 110960657
2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62294663
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120938991
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651816
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 75373916
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine (CID 51086139) is 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine is c1cnn(-c2cc(CNCc3ccc(N4CCOCC4)cc3)ccn2)c1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine?
The InChIKey is IIGHEJAHXGHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-7-23-25(9-1)20-14-18(6-8-22-20)16-21-15-17-2-4-19(5-3-17)24-10-12-26-13-11-24/h1-9,14,21H,10-13,15-16H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine?
1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine has a molecular weight of 349.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 51086139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).