1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide

C34H35N5O3 — CID 126653891

About 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide

1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide (PubChem CID 126653891) has the molecular formula C34H35N5O3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide
• PubChem CID: 126653891
• Molecular Formula: C34H35N5O3
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.27
• IUPAC Name: 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide
• SMILES: Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccc5c(c4)CCCC5)ccc32)n1
• InChI: InChI=1S/C34H35N5O3/c1-20-5-4-8-30(36-20)37-34(42)32-25-11-13-26(16-25)39(32)31(40)19-38-18-28(33(35)41)27-17-24(12-14-29(27)38)23-10-9-21-6-2-3-7-22(21)15-23/h4-5,8-10,12,14-15,17-18,25-26,32H,2-3,6-7,11,13,16,19H2,1H3,(H2,35,41)(H,36,37,42)/t25?,26?,32-/m0/s1
• InChIKey: UMKIKBMPJZULGR-FFJARJNZSA-N
• XLogP: 5.01
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide?

The IUPAC name of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide (CID 126653891) is 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide.

What is the SMILES notation for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide?

The canonical SMILES for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccc5c(c4)CCCC5)ccc32)n1.

What is the InChIKey of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide?

The InChIKey is UMKIKBMPJZULGR-FFJARJNZSA-N. The full InChI is InChI=1S/C34H35N5O3/c1-20-5-4-8-30(36-20)37-34(42)32-25-11-13-26(16-25)39(32)31(40)19-38-18-28(33(35)41)27-17-24(12-14-29(27)38)23-10-9-21-6-2-3-7-22(21)15-23/h4-5,8-10,12,14-15,17-18,25-26,32H,2-3,6-7,11,13,16,19H2,1H3,(H2,35,41)(H,36,37,42)/t25?,26?,32-/m0/s1.

What are the key properties of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide?

1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide has a molecular weight of 561.69 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide is sourced from PubChem (CID 126653891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).