1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

C22H19N7O — CID 90164317

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C22H19N7O/c30-22(23-8-7-14-10-24-18-4-2-1-3-17(14)18)29-21-6-5-19-20(28-21)9-15(11-25-19)16-12-26-27-13-16/h1-6,9-13,24H,7-8H2,(H,26,27)(H2,23,28,29,30)
InChIKeyBUQCNAAHEXAFKH-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164317) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164317
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C22H19N7O/c30-22(23-8-7-14-10-24-18-4-2-1-3-17(14)18)29-21-6-5-19-20(28-21)9-15(11-25-19)16-12-26-27-13-16/h1-6,9-13,24H,7-8H2,(H,26,27)(H2,23,28,29,30)
InChIKeyBUQCNAAHEXAFKH-UHFFFAOYSA-N
XLogP3.87
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea with MolForge

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Related Compounds

1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide
CID 112978626
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 90164317) is 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(NCCc1c[nH]c2ccccc12)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is BUQCNAAHEXAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c30-22(23-8-7-14-10-24-18-4-2-1-3-17(14)18)29-21-6-5-19-20(28-21)9-15(11-25-19)16-12-26-27-13-16/h1-6,9-13,24H,7-8H2,(H,26,27)(H2,23,28,29,30).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 397.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).