6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide

C22H22N6O3 — CID 137066459

About 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide

6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide (PubChem CID 137066459) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
• PubChem CID: 137066459
• Molecular Formula: C22H22N6O3
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.18
• IUPAC Name: 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)cn1
• InChI: InChI=1S/C22H22N6O3/c1-31-19-6-5-14(12-24-19)22(30)25-15-3-2-4-16-20(15)21-26-18(29)11-17(28(21)27-16)13-7-9-23-10-8-13/h2-6,11-13,23H,7-10H2,1H3,(H,25,30)(H,26,29)
• InChIKey: PEKHRBDLPSJBDQ-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide?

The IUPAC name of 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide (CID 137066459) is 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide is COc1ccc(C(=O)Nc2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)cn1.

What is the InChIKey of 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide?

The InChIKey is PEKHRBDLPSJBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-31-19-6-5-14(12-24-19)22(30)25-15-3-2-4-16-20(15)21-26-18(29)11-17(28(21)27-16)13-7-9-23-10-8-13/h2-6,11-13,23H,7-10H2,1H3,(H,25,30)(H,26,29).

What are the key properties of 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide?

6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide is sourced from PubChem (CID 137066459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).