1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea

C23H24N6O — CID 53236441

IUPAC1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCCCCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C23H24N6O/c1-29-16-19(15-27-29)18-13-21-22(26-14-18)20(10-12-24-21)28-23(30)25-11-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10,12-16H,5-6,9,11H2,1H3,(H2,24,25,28,30)
InChIKeyOXOVTEHZHVKLQN-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.17
Rot. Bonds7

About 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea

1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea (PubChem CID 53236441) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea
PubChem CID53236441
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea
SMILESCn1cc(-c2cnc3c(NC(=O)NCCCCc4ccccc4)ccnc3c2)cn1
InChIInChI=1S/C23H24N6O/c1-29-16-19(15-27-29)18-13-21-22(26-14-18)20(10-12-24-21)28-23(30)25-11-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10,12-16H,5-6,9,11H2,1H3,(H2,24,25,28,30)
InChIKeyOXOVTEHZHVKLQN-UHFFFAOYSA-N
XLogP4.17
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236207
1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236444
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
CID 163286463

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea?
The IUPAC name of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea (CID 53236441) is 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea is Cn1cc(-c2cnc3c(NC(=O)NCCCCc4ccccc4)ccnc3c2)cn1.
What is the InChIKey of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea?
The InChIKey is OXOVTEHZHVKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-29-16-19(15-27-29)18-13-21-22(26-14-18)20(10-12-24-21)28-23(30)25-11-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10,12-16H,5-6,9,11H2,1H3,(H2,24,25,28,30).
What are the key properties of 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea?
1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea has a molecular weight of 400.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea is sourced from PubChem (CID 53236441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).