3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide

C22H23N9O — CID 118875828

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C22H23N9O/c23-13-6-9-31(10-7-13)18-5-2-8-25-21(18)29-22(32)19-20(24)26-12-17(28-19)14-3-1-4-16-15(14)11-27-30-16/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,27,30)(H,25,29,32)
InChIKeyPBMUEOYWGJZICW-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide (PubChem CID 118875828) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide
PubChem CID118875828
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C22H23N9O/c23-13-6-9-31(10-7-13)18-5-2-8-25-21(18)29-22(32)19-20(24)26-12-17(28-19)14-3-1-4-16-15(14)11-27-30-16/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,27,30)(H,25,29,32)
InChIKeyPBMUEOYWGJZICW-UHFFFAOYSA-N
XLogP2.18
TPSA151.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-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-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide (CID 118875828) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide is Nc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is PBMUEOYWGJZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c23-13-6-9-31(10-7-13)18-5-2-8-25-21(18)29-22(32)19-20(24)26-12-17(28-19)14-3-1-4-16-15(14)11-27-30-16/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,27,30)(H,25,29,32).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118875828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).