1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C25H31N7O3 — CID 117076864

IUPAC1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C25H31N7O3/c33-25(27-8-10-30-11-15-34-16-12-30)23-6-9-32(29-23)22-5-7-26-24(19-22)28-20-1-3-21(4-2-20)31-13-17-35-18-14-31/h1-7,9,19H,8,10-18H2,(H,26,28)(H,27,33)
InChIKeyJRUGMMQHKKKJDK-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.91
Rot. Bonds8

About 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 117076864) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID117076864
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1
InChIInChI=1S/C25H31N7O3/c33-25(27-8-10-30-11-15-34-16-12-30)23-6-9-32(29-23)22-5-7-26-24(19-22)28-20-1-3-21(4-2-20)31-13-17-35-18-14-31/h1-7,9,19H,8,10-18H2,(H,26,28)(H,27,33)
InChIKeyJRUGMMQHKKKJDK-UHFFFAOYSA-N
XLogP1.91
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117076740
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51124890
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
4-(3,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207508
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 117076864) is 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is O=C(NCCN1CCOCC1)c1ccn(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)n1.
What is the InChIKey of 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is JRUGMMQHKKKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c33-25(27-8-10-30-11-15-34-16-12-30)23-6-9-32(29-23)22-5-7-26-24(19-22)28-20-1-3-21(4-2-20)31-13-17-35-18-14-31/h1-7,9,19H,8,10-18H2,(H,26,28)(H,27,33).
What are the key properties of 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 117076864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).