N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

C30H35N5O3 — CID 71731670

About N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide

N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (PubChem CID 71731670) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
• PubChem CID: 71731670
• Molecular Formula: C30H35N5O3
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.27
• IUPAC Name: N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
• SMILES: CN(C(=O)Cc1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1cccc(-c2cn(CC3CC3)cn2)c1
• InChI: InChI=1S/C30H35N5O3/c1-33(30(38)12-21-7-8-23-14-29(37)32-26(23)11-21)28(18-34-10-9-25(36)16-34)24-4-2-3-22(13-24)27-17-35(19-31-27)15-20-5-6-20/h2-4,7-8,11,13,17,19-20,25,28,36H,5-6,9-10,12,14-16,18H2,1H3,(H,32,37)/t25-,28+/m0/s1
• InChIKey: CJDZASSLSGUZPV-LBNVMWSVSA-N
• XLogP: 3.26
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?

The IUPAC name of N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide (CID 71731670) is N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?

The canonical SMILES for N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is CN(C(=O)Cc1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1cccc(-c2cn(CC3CC3)cn2)c1.

What is the InChIKey of N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?

The InChIKey is CJDZASSLSGUZPV-LBNVMWSVSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-33(30(38)12-21-7-8-23-14-29(37)32-26(23)11-21)28(18-34-10-9-25(36)16-34)24-4-2-3-22(13-24)27-17-35(19-31-27)15-20-5-6-20/h2-4,7-8,11,13,17,19-20,25,28,36H,5-6,9-10,12,14-16,18H2,1H3,(H,32,37)/t25-,28+/m0/s1.

What are the key properties of N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide?

N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide has a molecular weight of 513.64 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-[1-(cyclopropylmethyl)imidazol-4-yl]phenyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 71731670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).