3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

C26H26ClN7O2 — CID 56641759

IUPAC3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCc1ccc(-c2cc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)nn2-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C26H26ClN7O2/c1-18-2-4-19(5-3-18)22-16-20(32-34(22)25-10-8-23(27)30-31-25)7-11-26(35)29-21-6-9-24(28-17-21)33-12-14-36-15-13-33/h2-6,8-10,16-17H,7,11-15H2,1H3,(H,29,35)
InChIKeyQRHMTNGMSRFDAL-UHFFFAOYSA-N
MW503.99 g/mol
LogP4.09
Rot. Bonds7

About 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (PubChem CID 56641759) has the molecular formula C26H26ClN7O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
PubChem CID56641759
Molecular FormulaC26H26ClN7O2
Molecular Weight503.99 g/mol
Exact Mass503.18
IUPAC Name3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCc1ccc(-c2cc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)nn2-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C26H26ClN7O2/c1-18-2-4-19(5-3-18)22-16-20(32-34(22)25-10-8-23(27)30-31-25)7-11-26(35)29-21-6-9-24(28-17-21)33-12-14-36-15-13-33/h2-6,8-10,16-17H,7,11-15H2,1H3,(H,29,35)
InChIKeyQRHMTNGMSRFDAL-UHFFFAOYSA-N
XLogP4.09
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (CID 56641759) is 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is Cc1ccc(-c2cc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)nn2-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The InChIKey is QRHMTNGMSRFDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O2/c1-18-2-4-19(5-3-18)22-16-20(32-34(22)25-10-8-23(27)30-31-25)7-11-26(35)29-21-6-9-24(28-17-21)33-12-14-36-15-13-33/h2-6,8-10,16-17H,7,11-15H2,1H3,(H,29,35).
What are the key properties of 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide has a molecular weight of 503.99 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyridazin-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 56641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).