5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C32H34N8O4 — CID 142496256

About 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide

5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 142496256) has the molecular formula C32H34N8O4 and a molecular weight of 594.68 g/mol. Its IUPAC name is 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 142496256
• Molecular Formula: C32H34N8O4
• Molecular Weight: 594.68 g/mol
• Exact Mass: 594.27
• IUPAC Name: 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CCc1cccc(NC(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)Nc2cccc(C)n2)c1
• InChI: InChI=1S/C32H34N8O4/c1-3-19-7-5-8-21(14-19)35-32(44)36-22-11-13-25-24(16-22)28(30(33)42)38-39(25)17-27(41)40-23-12-10-20(15-23)29(40)31(43)37-26-9-4-6-18(2)34-26/h4-9,11,13-14,16,20,23,29H,3,10,12,15,17H2,1-2H3,(H2,33,42)(H,34,37,43)(H2,35,36,44)/t20-,23+,29-/m0/s1
• InChIKey: CQIQLWLHKZNDHY-MMOLPGFLSA-N
• XLogP: 4.06
• TPSA: 164.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.68
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 142496256) is 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide is CCc1cccc(NC(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)Nc2cccc(C)n2)c1.

What is the InChIKey of 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is CQIQLWLHKZNDHY-MMOLPGFLSA-N. The full InChI is InChI=1S/C32H34N8O4/c1-3-19-7-5-8-21(14-19)35-32(44)36-22-11-13-25-24(16-22)28(30(33)42)38-39(25)17-27(41)40-23-12-10-20(15-23)29(40)31(43)37-26-9-4-6-18(2)34-26/h4-9,11,13-14,16,20,23,29H,3,10,12,15,17H2,1-2H3,(H2,33,42)(H,34,37,43)(H2,35,36,44)/t20-,23+,29-/m0/s1.

What are the key properties of 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide?

5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 594.68 g/mol, XLogP of 4.06, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 142496256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).