7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C31H35N7O3 — CID 134286554

About 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134286554) has the molecular formula C31H35N7O3 and a molecular weight of 553.67 g/mol. Its IUPAC name is 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 134286554
• Molecular Formula: C31H35N7O3
• Molecular Weight: 553.67 g/mol
• Exact Mass: 553.28
• IUPAC Name: 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC[C@@H](CC[C@H](C)c1n[nH]c(=O)c2ccccc12)NC(=O)c1cnc2cc(-c3cnn(C4CCOCC4)c3)ccn12
• InChI: InChI=1S/C31H35N7O3/c1-3-23(9-8-20(2)29-25-6-4-5-7-26(25)30(39)36-35-29)34-31(40)27-18-32-28-16-21(10-13-37(27)28)22-17-33-38(19-22)24-11-14-41-15-12-24/h4-7,10,13,16-20,23-24H,3,8-9,11-12,14-15H2,1-2H3,(H,34,40)(H,36,39)/t20-,23-/m0/s1
• InChIKey: IVAPMRXAPPNEGX-REWPJTCUSA-N
• XLogP: 4.88
• TPSA: 119.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.67
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134286554) is 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC[C@@H](CC[C@H](C)c1n[nH]c(=O)c2ccccc12)NC(=O)c1cnc2cc(-c3cnn(C4CCOCC4)c3)ccn12.

What is the InChIKey of 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IVAPMRXAPPNEGX-REWPJTCUSA-N. The full InChI is InChI=1S/C31H35N7O3/c1-3-23(9-8-20(2)29-25-6-4-5-7-26(25)30(39)36-35-29)34-31(40)27-18-32-28-16-21(10-13-37(27)28)22-17-33-38(19-22)24-11-14-41-15-12-24/h4-7,10,13,16-20,23-24H,3,8-9,11-12,14-15H2,1-2H3,(H,34,40)(H,36,39)/t20-,23-/m0/s1.

What are the key properties of 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(oxan-4-yl)pyrazol-4-yl]-N-[(3S,6S)-6-(4-oxo-3H-phthalazin-1-yl)heptan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).