1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea

C25H17ClN8O — CID 137430297

IUPAC1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1
InChIInChI=1S/C25H17ClN8O/c26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15/h1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35)
InChIKeyMNDLATNNRPCJRM-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.93
Rot. Bonds5

About 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea

1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 137430297) has the molecular formula C25H17ClN8O and a molecular weight of 480.92 g/mol. Its IUPAC name is 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID137430297
Molecular FormulaC25H17ClN8O
Molecular Weight480.92 g/mol
Exact Mass480.12
IUPAC Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1
InChIInChI=1S/C25H17ClN8O/c26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15/h1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35)
InChIKeyMNDLATNNRPCJRM-UHFFFAOYSA-N
XLogP4.93
TPSA132.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)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

1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 137430390
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 137431644
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
CID 137431590
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
CID 137430367
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 137431634
6-(7-chloro-1H-indazol-5-yl)-3-(2-cyclohexylethylamino)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)-1H-pyrazin-2-one
CID 159826375
N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
CID 59023819

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (CID 137430297) is 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is MNDLATNNRPCJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN8O/c26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15/h1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35).
What are the key properties of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 480.92 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 137430297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).