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

C24H21ClFN7O — CID 135326486

IUPAC1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide
SMILESCn1nc2ccc(-n3cc(C(=O)N[C@@H]4CCCNC4)nc3-c3ccc(C#N)c(F)c3)cc2c1Cl
InChIInChI=1S/C24H21ClFN7O/c1-32-22(25)18-10-17(6-7-20(18)31-32)33-13-21(24(34)29-16-3-2-8-28-12-16)30-23(33)14-4-5-15(11-27)19(26)9-14/h4-7,9-10,13,16,28H,2-3,8,12H2,1H3,(H,29,34)/t16-/m1/s1
InChIKeyFXRSPBJKVJBXFN-MRXNPFEDSA-N
MW477.93 g/mol
LogP3.57
Rot. Bonds4

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

1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide (PubChem CID 135326486) has the molecular formula C24H21ClFN7O and a molecular weight of 477.93 g/mol. Its IUPAC name is 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide
PubChem CID135326486
Molecular FormulaC24H21ClFN7O
Molecular Weight477.93 g/mol
Exact Mass477.15
IUPAC Name1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide
SMILESCn1nc2ccc(-n3cc(C(=O)N[C@@H]4CCCNC4)nc3-c3ccc(C#N)c(F)c3)cc2c1Cl
InChIInChI=1S/C24H21ClFN7O/c1-32-22(25)18-10-17(6-7-20(18)31-32)33-13-21(24(34)29-16-3-2-8-28-12-16)30-23(33)14-4-5-15(11-27)19(26)9-14/h4-7,9-10,13,16,28H,2-3,8,12H2,1H3,(H,29,34)/t16-/m1/s1
InChIKeyFXRSPBJKVJBXFN-MRXNPFEDSA-N
XLogP3.57
TPSA100.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 53.57
H-Bond Donors ≤ 52
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)-piperidin-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide (CID 135326486) is 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-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)-piperidin-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide is Cn1nc2ccc(-n3cc(C(=O)N[C@@H]4CCCNC4)nc3-c3ccc(C#N)c(F)c3)cc2c1Cl.
What is the InChIKey of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide?
The InChIKey is FXRSPBJKVJBXFN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21ClFN7O/c1-32-22(25)18-10-17(6-7-20(18)31-32)33-13-21(24(34)29-16-3-2-8-28-12-16)30-23(33)14-4-5-15(11-27)19(26)9-14/h4-7,9-10,13,16,28H,2-3,8,12H2,1H3,(H,29,34)/t16-/m1/s1.
What are the key properties of 1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide?
1-(3-chloro-2-methylindazol-5-yl)-2-(4-cyano-3-fluorophenyl)-N-[(3R)-piperidin-3-yl]imidazole-4-carboxamide has a molecular weight of 477.93 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 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)-piperidin-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 135326486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).