3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C24H23N9O — CID 154604475

IUPAC3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCCn1ccnc1CNC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C24H23N9O/c1-3-33-12-10-27-19(33)14-28-24(34)22-23(25)30-21(18-8-11-32(2)31-18)20(29-22)16-6-7-17-15(13-16)5-4-9-26-17/h4-13H,3,14H2,1-2H3,(H2,25,30)(H,28,34)
InChIKeyAKVNAGWMPTVLDM-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604475) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604475
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCCn1ccnc1CNC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C24H23N9O/c1-3-33-12-10-27-19(33)14-28-24(34)22-23(25)30-21(18-8-11-32(2)31-18)20(29-22)16-6-7-17-15(13-16)5-4-9-26-17/h4-13H,3,14H2,1-2H3,(H2,25,30)(H,28,34)
InChIKeyAKVNAGWMPTVLDM-UHFFFAOYSA-N
XLogP2.82
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-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-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604475) is 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is CCn1ccnc1CNC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N.
What is the InChIKey of 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is AKVNAGWMPTVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-3-33-12-10-27-19(33)14-28-24(34)22-23(25)30-21(18-8-11-32(2)31-18)20(29-22)16-6-7-17-15(13-16)5-4-9-26-17/h4-13H,3,14H2,1-2H3,(H2,25,30)(H,28,34).
What are the key properties of 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).