5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide

C24H30N6O4 — CID 171827674

IUPAC5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1nc(-c2ncccc2OCCCN2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C24H30N6O4/c1-15-6-7-17(31)16(2)22(15)30-23(25)19(24(26)32)21(28-30)20-18(5-3-8-27-20)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,31H,4,9-14,25H2,1-2H3,(H2,26,32)
InChIKeyIOYJMUROQDVFFW-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.04
Rot. Bonds8

About 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 171827674) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID171827674
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1nc(-c2ncccc2OCCCN2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C24H30N6O4/c1-15-6-7-17(31)16(2)22(15)30-23(25)19(24(26)32)21(28-30)20-18(5-3-8-27-20)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,31H,4,9-14,25H2,1-2H3,(H2,26,32)
InChIKeyIOYJMUROQDVFFW-UHFFFAOYSA-N
XLogP2.04
TPSA141.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide (CID 171827674) is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccc(O)c(C)c1-n1nc(-c2ncccc2OCCCN2CCOCC2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is IOYJMUROQDVFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-15-6-7-17(31)16(2)22(15)30-23(25)19(24(26)32)21(28-30)20-18(5-3-8-27-20)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,31H,4,9-14,25H2,1-2H3,(H2,26,32).
What are the key properties of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171827674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).