3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

C23H29N7O — CID 70687569

IUPAC3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)cn1
InChIInChI=1S/C23H29N7O/c1-23(2,18-7-9-25-10-8-18)29-22(31)20-21(24)26-13-19(28-20)16-6-4-5-15(11-16)17-12-27-30(3)14-17/h4-6,11-14,18,25H,7-10H2,1-3H3,(H2,24,26)(H,29,31)
InChIKeyKYDHJYXFVRVALV-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 70687569) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID70687569
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)cn1
InChIInChI=1S/C23H29N7O/c1-23(2,18-7-9-25-10-8-18)29-22(31)20-21(24)26-13-19(28-20)16-6-4-5-15(11-16)17-12-27-30(3)14-17/h4-6,11-14,18,25H,7-10H2,1-3H3,(H2,24,26)(H,29,31)
InChIKeyKYDHJYXFVRVALV-UHFFFAOYSA-N
XLogP2.63
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-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-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (CID 70687569) is 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)cn1.
What is the InChIKey of 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is KYDHJYXFVRVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-23(2,18-7-9-25-10-8-18)29-22(31)20-21(24)26-13-19(28-20)16-6-4-5-15(11-16)17-12-27-30(3)14-17/h4-6,11-14,18,25H,7-10H2,1-3H3,(H2,24,26)(H,29,31).
What are the key properties of 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).