N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide

C24H28N6O3 — CID 143878434

IUPACN-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(CCCO)n1)n1ncc(-n2ccc3ccccc32)cc1=O
InChIInChI=1S/C24H28N6O3/c1-17(2)14-21(24(33)26-22-9-11-28(27-22)10-5-13-31)30-23(32)15-19(16-25-30)29-12-8-18-6-3-4-7-20(18)29/h3-4,6-9,11-12,15-17,21,31H,5,10,13-14H2,1-2H3,(H,26,27,33)
InChIKeyKBSMQDBRARBCRL-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.99
Rot. Bonds9

About N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide

N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide (PubChem CID 143878434) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide
PubChem CID143878434
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(CCCO)n1)n1ncc(-n2ccc3ccccc32)cc1=O
InChIInChI=1S/C24H28N6O3/c1-17(2)14-21(24(33)26-22-9-11-28(27-22)10-5-13-31)30-23(32)15-19(16-25-30)29-12-8-18-6-3-4-7-20(18)29/h3-4,6-9,11-12,15-17,21,31H,5,10,13-14H2,1-2H3,(H,26,27,33)
InChIKeyKBSMQDBRARBCRL-UHFFFAOYSA-N
XLogP2.99
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide?
The IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide (CID 143878434) is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide is CC(C)CC(C(=O)Nc1ccn(CCCO)n1)n1ncc(-n2ccc3ccccc32)cc1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide?
The InChIKey is KBSMQDBRARBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-17(2)14-21(24(33)26-22-9-11-28(27-22)10-5-13-31)30-23(32)15-19(16-25-30)29-12-8-18-6-3-4-7-20(18)29/h3-4,6-9,11-12,15-17,21,31H,5,10,13-14H2,1-2H3,(H,26,27,33).
What are the key properties of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide?
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide has a molecular weight of 448.53 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide is sourced from PubChem (CID 143878434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).