N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C25H25N7O — CID 138586311

IUPACN-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc(N)c5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C25H25N7O/c1-31-6-8-32(9-7-31)24-13-18(4-5-28-24)25(33)30-23-12-20-10-17(2-3-19(20)15-29-23)21-11-22(26)16-27-14-21/h2-5,10-16H,6-9,26H2,1H3,(H,29,30,33)
InChIKeyZVHMMVZPNSFJTQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.28
Rot. Bonds4

About N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 138586311) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID138586311
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc(N)c5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C25H25N7O/c1-31-6-8-32(9-7-31)24-13-18(4-5-28-24)25(33)30-23-12-20-10-17(2-3-19(20)15-29-23)21-11-22(26)16-27-14-21/h2-5,10-16H,6-9,26H2,1H3,(H,29,30,33)
InChIKeyZVHMMVZPNSFJTQ-UHFFFAOYSA-N
XLogP3.28
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 138586346
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;oxalate;platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 172880373
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
carbamimidoyl 3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinoline-6-carboximidothioate
CID 155617577
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
5-fluoro-1H-pyrimidine-2,4-dione;2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 172880371

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 138586311) is N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncc(N)c5)ccc4cn3)ccn2)CC1.
What is the InChIKey of N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is ZVHMMVZPNSFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-31-6-8-32(9-7-31)24-13-18(4-5-28-24)25(33)30-23-12-20-10-17(2-3-19(20)15-29-23)21-11-22(26)16-27-14-21/h2-5,10-16H,6-9,26H2,1H3,(H,29,30,33).
What are the key properties of N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138586311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).