N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C41H45N7O5 — CID 129135742

About N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 129135742) has the molecular formula C41H45N7O5 and a molecular weight of 715.86 g/mol. Its IUPAC name is N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• PubChem CID: 129135742
• Molecular Formula: C41H45N7O5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.35
• IUPAC Name: N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
• SMILES: COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nn3)c2)ccc1OCCN1CCCC1
• InChI: InChI=1S/C41H45N7O5/c1-27-5-7-29(8-6-27)33-25-48(24-28-13-18-52-19-14-28)26-34(39(33)49)41(50)44-38-12-10-35(45-46-38)32-21-31(23-43-40(32)42)30-9-11-36(37(22-30)51-2)53-20-17-47-15-3-4-16-47/h5-12,21-23,25-26,28H,3-4,13-20,24H2,1-2H3,(H2,42,43)(H,44,46,50)
• InChIKey: KGFCIMCRXWIOFT-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 146.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 129135742) is N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nn3)c2)ccc1OCCN1CCCC1.

What is the InChIKey of N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

The InChIKey is KGFCIMCRXWIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N7O5/c1-27-5-7-29(8-6-27)33-25-48(24-28-13-18-52-19-14-28)26-34(39(33)49)41(50)44-38-12-10-35(45-46-38)32-21-31(23-43-40(32)42)30-9-11-36(37(22-30)51-2)53-20-17-47-15-3-4-16-47/h5-12,21-23,25-26,28H,3-4,13-20,24H2,1-2H3,(H2,42,43)(H,44,46,50).

What are the key properties of N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?

N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 715.86 g/mol, XLogP of 6.09, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-amino-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 129135742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).