4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide

C24H29N7O — CID 138606080

IUPAC4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1
InChIInChI=1S/C24H29N7O/c1-29-11-13-30(14-12-29)21-6-9-31(10-7-21)24(32)27-23-16-20-15-18(4-5-19(20)17-25-23)22-3-2-8-26-28-22/h2-5,8,15-17,21H,6-7,9-14H2,1H3,(H,25,27,32)
InChIKeyKXMXLBUBKPTCJB-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide

4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide (PubChem CID 138606080) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
PubChem CID138606080
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1
InChIInChI=1S/C24H29N7O/c1-29-11-13-30(14-12-29)21-6-9-31(10-7-21)24(32)27-23-16-20-15-18(4-5-19(20)17-25-23)22-3-2-8-26-28-22/h2-5,8,15-17,21H,6-7,9-14H2,1H3,(H,25,27,32)
InChIKeyKXMXLBUBKPTCJB-UHFFFAOYSA-N
XLogP2.94
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
CID 142575426
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
CID 138606041
3-(2,2-difluoroethylamino)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclobutane-1-carboxamide
CID 138606088
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]morpholine-4-carboxamide
CID 138559189
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 141315174
1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606157
(3S,4S)-3-fluoro-4-(propan-2-ylamino)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606067
1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606043

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide (CID 138606080) is 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide is CN1CCN(C2CCN(C(=O)Nc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide?
The InChIKey is KXMXLBUBKPTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-29-11-13-30(14-12-29)21-6-9-31(10-7-21)24(32)27-23-16-20-15-18(4-5-19(20)17-25-23)22-3-2-8-26-28-22/h2-5,8,15-17,21H,6-7,9-14H2,1H3,(H,25,27,32).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide?
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138606080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).