1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

C20H18N6O — CID 52936268

IUPAC1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2)cn1
InChIInChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)
InChIKeyBQCBWCAJXUXWIA-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.35
Rot. Bonds4

About 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea

1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 52936268) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID52936268
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
SMILESCn1cc(-c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2)cn1
InChIInChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)
InChIKeyBQCBWCAJXUXWIA-UHFFFAOYSA-N
XLogP3.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
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1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556536
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)ethane-1,2-diamine
CID 71254199
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea (CID 52936268) is 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is Cn1cc(-c2cnc3ccc(NC(=O)NCc4ccccc4)nc3c2)cn1.
What is the InChIKey of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is BQCBWCAJXUXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27).
What are the key properties of 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea?
1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 358.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 52936268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).