tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

C31H41N7O6 — CID 70155175

About tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 70155175) has the molecular formula C31H41N7O6 and a molecular weight of 607.71 g/mol. Its IUPAC name is tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
• PubChem CID: 70155175
• Molecular Formula: C31H41N7O6
• Molecular Weight: 607.71 g/mol
• Exact Mass: 607.31
• IUPAC Name: tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(c3[nH]nc4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCOCC3)CC2)C1
• InChI: InChI=1S/C31H41N7O6/c1-31(2,3)44-30(42)36-11-5-6-20(18-36)28(40)35-12-9-19(10-13-35)25-24-26(34-33-25)21-7-4-8-22(23(21)27(24)39)38(29(32)41)37-14-16-43-17-15-37/h4,7-8,19-20H,5-6,9-18H2,1-3H3,(H2,32,41)(H,33,34)
• InChIKey: NDJPQELJTMXMIF-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 154.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.71
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 70155175) is tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(c3[nH]nc4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCOCC3)CC2)C1.

What is the InChIKey of tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?

The InChIKey is NDJPQELJTMXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O6/c1-31(2,3)44-30(42)36-11-5-6-20(18-36)28(40)35-12-9-19(10-13-35)25-24-26(34-33-25)21-7-4-8-22(23(21)27(24)39)38(29(32)41)37-14-16-43-17-15-37/h4,7-8,19-20H,5-6,9-18H2,1-3H3,(H2,32,41)(H,33,34).

What are the key properties of tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?

tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 607.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 70155175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).