1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide

C25H23ClFN7O — CID 118626756

IUPAC1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cn(-c3ccc4nn(C)c(Cl)c4c3)c(-c3ccc(C#N)c(F)c3)n2)C1
InChIInChI=1S/C25H23ClFN7O/c1-32-9-3-4-17(13-32)29-25(35)22-14-34(18-7-8-21-19(11-18)23(26)33(2)31-21)24(30-22)15-5-6-16(12-28)20(27)10-15/h5-8,10-11,14,17H,3-4,9,13H2,1-2H3,(H,29,35)/t17-/m1/s1
InChIKeyLIMDPDHBURVMDW-QGZVFWFLSA-N
MW491.96 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide

1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide (PubChem CID 118626756) has the molecular formula C25H23ClFN7O and a molecular weight of 491.96 g/mol. Its IUPAC name is 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide
PubChem CID118626756
Molecular FormulaC25H23ClFN7O
Molecular Weight491.96 g/mol
Exact Mass491.16
IUPAC Name1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cn(-c3ccc4nn(C)c(Cl)c4c3)c(-c3ccc(C#N)c(F)c3)n2)C1
InChIInChI=1S/C25H23ClFN7O/c1-32-9-3-4-17(13-32)29-25(35)22-14-34(18-7-8-21-19(11-18)23(26)33(2)31-21)24(30-22)15-5-6-16(12-28)20(27)10-15/h5-8,10-11,14,17H,3-4,9,13H2,1-2H3,(H,29,35)/t17-/m1/s1
InChIKeyLIMDPDHBURVMDW-QGZVFWFLSA-N
XLogP3.91
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide (CID 118626756) is 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide is CN1CCC[C@@H](NC(=O)c2cn(-c3ccc4nn(C)c(Cl)c4c3)c(-c3ccc(C#N)c(F)c3)n2)C1.
What is the InChIKey of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide?
The InChIKey is LIMDPDHBURVMDW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23ClFN7O/c1-32-9-3-4-17(13-32)29-25(35)22-14-34(18-7-8-21-19(11-18)23(26)33(2)31-21)24(30-22)15-5-6-16(12-28)20(27)10-15/h5-8,10-11,14,17H,3-4,9,13H2,1-2H3,(H,29,35)/t17-/m1/s1.
What are the key properties of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide?
1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide has a molecular weight of 491.96 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 118626756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).