1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one

C21H18N6O — CID 118660806

IUPAC1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCNC5=O)nc34)cc2)cn1
InChIInChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28)
InChIKeyYXVVCWWWIWRJKH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.23
Rot. Bonds3

About 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one

1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one (PubChem CID 118660806) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one
PubChem CID118660806
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCNC5=O)nc34)cc2)cn1
InChIInChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28)
InChIKeyYXVVCWWWIWRJKH-UHFFFAOYSA-N
XLogP3.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
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
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one (CID 118660806) is 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one is Cn1cc(-c2ccc(-c3cncc4ccc(N5CCNC5=O)nc34)cc2)cn1.
What is the InChIKey of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one?
The InChIKey is YXVVCWWWIWRJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28).
What are the key properties of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one?
1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 118660806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).