[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea

C18H13ClN6O2 — CID 137431825

IUPAC[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
SMILESNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C18H13ClN6O2/c19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27)
InChIKeyWMSHOWZBZRDOIA-UHFFFAOYSA-N
MW380.80 g/mol
LogP3.12
Rot. Bonds3

About [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea

[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea (PubChem CID 137431825) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea.

Molecular Properties

Compound Name[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
PubChem CID137431825
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC Name[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
SMILESNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C18H13ClN6O2/c19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27)
InChIKeyWMSHOWZBZRDOIA-UHFFFAOYSA-N
XLogP3.12
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 137430390
6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430504
(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
CID 137431331
(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
CID 137431840
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
CID 137430367
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438644
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895

Frequently Asked Questions

What is the IUPAC name of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The IUPAC name of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea (CID 137431825) is [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea.
What is the SMILES notation for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The canonical SMILES for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea is NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.
What is the InChIKey of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The InChIKey is WMSHOWZBZRDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27).
What are the key properties of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea has a molecular weight of 380.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea is sourced from PubChem (CID 137431825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).