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

C21H20N6O — CID 90164299

IUPAC1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C21H20N6O/c28-21(22-10-4-7-15-5-2-1-3-6-15)27-20-9-8-18-19(26-20)11-16(12-23-18)17-13-24-25-14-17/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,24,25)(H2,22,26,27,28)
InChIKeyHULCSWTXMBEARO-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds6

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

1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90164299) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90164299
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(NCCCc1ccccc1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C21H20N6O/c28-21(22-10-4-7-15-5-2-1-3-6-15)27-20-9-8-18-19(26-20)11-16(12-23-18)17-13-24-25-14-17/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,24,25)(H2,22,26,27,28)
InChIKeyHULCSWTXMBEARO-UHFFFAOYSA-N
XLogP3.77
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164317
1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249479
1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
CID 135908248
1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249525
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164265
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 90164299) is 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is O=C(NCCCc1ccccc1)Nc1ccc2ncc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is HULCSWTXMBEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(22-10-4-7-15-5-2-1-3-6-15)27-20-9-8-18-19(26-20)11-16(12-23-18)17-13-24-25-14-17/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,24,25)(H2,22,26,27,28).
What are the key properties of 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 372.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90164299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).