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

C23H17ClN10O — CID 137431946

IUPAC1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCn1ccc(-c2nc(NC(=O)NCc3cccnc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C23H17ClN10O/c1-34-6-4-17(33-34)21-20(14-7-15-12-28-32-19(15)16(24)8-14)29-18(9-25)22(30-21)31-23(35)27-11-13-3-2-5-26-10-13/h2-8,10,12H,11H2,1H3,(H,28,32)(H2,27,30,31,35)
InChIKeySRPLPTXIRXLBON-UHFFFAOYSA-N
MW484.91 g/mol
LogP3.66
Rot. Bonds5

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

1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 137431946) has the molecular formula C23H17ClN10O and a molecular weight of 484.91 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-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID137431946
Molecular FormulaC23H17ClN10O
Molecular Weight484.91 g/mol
Exact Mass484.13
IUPAC Name1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCn1ccc(-c2nc(NC(=O)NCc3cccnc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C23H17ClN10O/c1-34-6-4-17(33-34)21-20(14-7-15-12-28-32-19(15)16(24)8-14)29-18(9-25)22(30-21)31-23(35)27-11-13-3-2-5-26-10-13/h2-8,10,12H,11H2,1H3,(H,28,32)(H2,27,30,31,35)
InChIKeySRPLPTXIRXLBON-UHFFFAOYSA-N
XLogP3.66
TPSA150.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 53.66
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-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (CID 137431946) is 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea is Cn1ccc(-c2nc(NC(=O)NCc3cccnc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is SRPLPTXIRXLBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN10O/c1-34-6-4-17(33-34)21-20(14-7-15-12-28-32-19(15)16(24)8-14)29-18(9-25)22(30-21)31-23(35)27-11-13-3-2-5-26-10-13/h2-8,10,12H,11H2,1H3,(H,28,32)(H2,27,30,31,35).
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-(pyridin-3-ylmethyl)urea?
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 484.91 g/mol, XLogP of 3.66, 5 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-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 137431946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).