tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate

C27H35N5O5 — CID 170227634

About tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate (PubChem CID 170227634) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
• PubChem CID: 170227634
• Molecular Formula: C27H35N5O5
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.26
• IUPAC Name: tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
• SMILES: COc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O
• InChI: InChI=1S/C27H35N5O5/c1-27(2,3)37-26(35)31(5)18-9-11-19(12-10-18)32-16-17-14-20(23(36-6)15-22(17)29-32)24(33)28-21-8-7-13-30(4)25(21)34/h7-8,13-16,18-19H,9-12H2,1-6H3,(H,28,33)
• InChIKey: MKWVXCQLPYZMSH-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 107.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate (CID 170227634) is tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate is COc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O.

What is the InChIKey of tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate?

The InChIKey is MKWVXCQLPYZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-27(2,3)37-26(35)31(5)18-9-11-19(12-10-18)32-16-17-14-20(23(36-6)15-22(17)29-32)24(33)28-21-8-7-13-30(4)25(21)34/h7-8,13-16,18-19H,9-12H2,1-6H3,(H,28,33).

What are the key properties of tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate?

tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate has a molecular weight of 509.61 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 170227634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).