6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

C27H31N7O3 — CID 122650761

About 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 122650761) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 122650761
• Molecular Formula: C27H31N7O3
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.25
• IUPAC Name: 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc2nn(CC(=O)N3CCC(C(=O)C4CC4)CC3)cc2c1)c1cccc(NC2CNC2)n1
• InChI: InChI=1S/C27H31N7O3/c35-25(33-10-8-18(9-11-33)26(36)17-4-5-17)16-34-15-19-12-20(6-7-22(19)32-34)30-27(37)23-2-1-3-24(31-23)29-21-13-28-14-21/h1-3,6-7,12,15,17-18,21,28H,4-5,8-11,13-14,16H2,(H,29,31)(H,30,37)
• InChIKey: KEOFJJFJVIJNID-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 121.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 122650761) is 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCC(C(=O)C4CC4)CC3)cc2c1)c1cccc(NC2CNC2)n1.

What is the InChIKey of 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is KEOFJJFJVIJNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c35-25(33-10-8-18(9-11-33)26(36)17-4-5-17)16-34-15-19-12-20(6-7-22(19)32-34)30-27(37)23-2-1-3-24(31-23)29-21-13-28-14-21/h1-3,6-7,12,15,17-18,21,28H,4-5,8-11,13-14,16H2,(H,29,31)(H,30,37).

What are the key properties of 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?

6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122650761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).