3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide

C24H23ClN6O — CID 137431910

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H23ClN6O/c25-18-12-15(11-16-13-27-31-19(16)18)21-20(14-7-3-1-4-8-14)30-23(26)22(29-21)24(32)28-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)(H,28,32)
InChIKeyBKVWBUWGCYHTLV-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.99
Rot. Bonds4

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide (PubChem CID 137431910) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
PubChem CID137431910
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H23ClN6O/c25-18-12-15(11-16-13-27-31-19(16)18)21-20(14-7-3-1-4-8-14)30-23(26)22(29-21)24(32)28-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)(H,28,32)
InChIKeyBKVWBUWGCYHTLV-UHFFFAOYSA-N
XLogP4.99
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide (CID 137431910) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
The InChIKey is BKVWBUWGCYHTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c25-18-12-15(11-16-13-27-31-19(16)18)21-20(14-7-3-1-4-8-14)30-23(26)22(29-21)24(32)28-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,26,30)(H,27,31)(H,28,32).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).