N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide

C24H33N7O — CID 134516519

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide
SMILESCc1ccc(-n2cc3cnnc(N4CCC(CCC(=O)NCCN(C)C)CC4)c3n2)cc1
InChIInChI=1S/C24H33N7O/c1-18-4-7-21(8-5-18)31-17-20-16-26-27-24(23(20)28-31)30-13-10-19(11-14-30)6-9-22(32)25-12-15-29(2)3/h4-5,7-8,16-17,19H,6,9-15H2,1-3H3,(H,25,32)
InChIKeyQLBXZHARSVHPPS-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide (PubChem CID 134516519) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide
PubChem CID134516519
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide
SMILESCc1ccc(-n2cc3cnnc(N4CCC(CCC(=O)NCCN(C)C)CC4)c3n2)cc1
InChIInChI=1S/C24H33N7O/c1-18-4-7-21(8-5-18)31-17-20-16-26-27-24(23(20)28-31)30-13-10-19(11-14-30)6-9-22(32)25-12-15-29(2)3/h4-5,7-8,16-17,19H,6,9-15H2,1-3H3,(H,25,32)
InChIKeyQLBXZHARSVHPPS-UHFFFAOYSA-N
XLogP2.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide (CID 134516519) is N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide is Cc1ccc(-n2cc3cnnc(N4CCC(CCC(=O)NCCN(C)C)CC4)c3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide?
The InChIKey is QLBXZHARSVHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-18-4-7-21(8-5-18)31-17-20-16-26-27-24(23(20)28-31)30-13-10-19(11-14-30)6-9-22(32)25-12-15-29(2)3/h4-5,7-8,16-17,19H,6,9-15H2,1-3H3,(H,25,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide has a molecular weight of 435.58 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 134516519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).