1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea

C18H19ClN6O2 — CID 11338178

IUPAC1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
SMILESCN1CCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(C#N)cn2)CC1
InChIInChI=1S/C18H19ClN6O2/c1-25-6-4-14(5-7-25)27-16-3-2-12(19)8-15(16)23-18(26)24-17-11-21-13(9-20)10-22-17/h2-3,8,10-11,14H,4-7H2,1H3,(H2,22,23,24,26)
InChIKeyWTQRLVNDANHFDI-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.12
Rot. Bonds4

About 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea

1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea (PubChem CID 11338178) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
PubChem CID11338178
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
SMILESCN1CCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(C#N)cn2)CC1
InChIInChI=1S/C18H19ClN6O2/c1-25-6-4-14(5-7-25)27-16-3-2-12(19)8-15(16)23-18(26)24-17-11-21-13(9-20)10-22-17/h2-3,8,10-11,14H,4-7H2,1H3,(H2,22,23,24,26)
InChIKeyWTQRLVNDANHFDI-UHFFFAOYSA-N
XLogP3.12
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-Chloro-11,12,13,14-tetrahydro-1H,10H-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one
CID 11348631
1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-YL)urea
CID 16122643
7-Chloro-8-[2-(dimethylamino)ethoxy]-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11305731
N-{7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaen-8-yl}-2-(dimethylamino)acetamide
CID 11442872
8-(3-Aminopropoxy)-7-chloro-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 16125023
18-Chloro-2-Oxo-17-[(Pyridin-4-Ylmethyl)amino]-2,3,11,12,13,14-Hexahydro-1h,10h-4,8-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecine-7-Carbonitrile
CID 11329100
3-(5-Chloro-2-{[1-(dimethylamino)propan-2-yl]oxy}phenyl)-1-(5-cyanopyrazin-2-yl)urea
CID 11417488
7-Chloro-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11428760
3-(5-Chloro-2-methoxyphenyl)-1-(6-{[1-(dimethylamino)propan-2-yl]oxy}pyrazin-2-yl)urea
CID 16124959
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-pyridin-2-ylacetamide
CID 5311778
1-(5-Chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
CID 3427828
XL844
CID 10016910

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea?
The IUPAC name of 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea (CID 11338178) is 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea?
The canonical SMILES for 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea is CN1CCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(C#N)cn2)CC1.
What is the InChIKey of 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea?
The InChIKey is WTQRLVNDANHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-25-6-4-14(5-7-25)27-16-3-2-12(19)8-15(16)23-18(26)24-17-11-21-13(9-20)10-22-17/h2-3,8,10-11,14H,4-7H2,1H3,(H2,22,23,24,26).
What are the key properties of 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea?
1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea has a molecular weight of 386.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(5-cyanopyrazin-2-yl)urea is sourced from PubChem (CID 11338178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).