1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea

C23H23ClN10O — CID 137431939

IUPAC1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1
InChIInChI=1S/C23H23ClN10O/c1-33-6-3-15(4-7-33)27-23(35)30-22-18(11-25)28-20(21(29-22)17-5-8-34(2)32-17)13-9-14-12-26-31-19(14)16(24)10-13/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,26,31)(H2,27,29,30,35)
InChIKeyWNSZOUHBFBVLLG-UHFFFAOYSA-N
MW490.96 g/mol
LogP3.16
Rot. Bonds4

About 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea

1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 137431939) has the molecular formula C23H23ClN10O and a molecular weight of 490.96 g/mol. Its IUPAC name is 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID137431939
Molecular FormulaC23H23ClN10O
Molecular Weight490.96 g/mol
Exact Mass490.17
IUPAC Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1
InChIInChI=1S/C23H23ClN10O/c1-33-6-3-15(4-7-33)27-23(35)30-22-18(11-25)28-20(21(29-22)17-5-8-34(2)32-17)13-9-14-12-26-31-19(14)16(24)10-13/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,26,31)(H2,27,29,30,35)
InChIKeyWNSZOUHBFBVLLG-UHFFFAOYSA-N
XLogP3.16
TPSA140.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.96
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea (CID 137431939) is 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1.
What is the InChIKey of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is WNSZOUHBFBVLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN10O/c1-33-6-3-15(4-7-33)27-23(35)30-22-18(11-25)28-20(21(29-22)17-5-8-34(2)32-17)13-9-14-12-26-31-19(14)16(24)10-13/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,26,31)(H2,27,29,30,35).
What are the key properties of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea?
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 490.96 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 137431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).