(3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C33H37FN4O2 — CID 56941728

About (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56941728) has the molecular formula C33H37FN4O2 and a molecular weight of 540.68 g/mol. Its IUPAC name is (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 56941728
• Molecular Formula: C33H37FN4O2
• Molecular Weight: 540.68 g/mol
• Exact Mass: 540.29
• IUPAC Name: (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2)C1CCN(c2ccncc2)CC1
• InChI: InChI=1S/C33H37FN4O2/c1-37(25-14-20-38(21-15-25)26-12-18-35-19-13-26)31(39)24-9-8-23-10-11-30(27(23)22-24)36-32(40)33(16-4-5-17-33)28-6-2-3-7-29(28)34/h2-3,6-9,12-13,18-19,22,25,30H,4-5,10-11,14-17,20-21H2,1H3,(H,36,40)/t30-/m1/s1
• InChIKey: SUIVPQRZVKAYPP-SSEXGKCCSA-N
• XLogP: 5.58
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.68
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 56941728) is (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2)C1CCN(c2ccncc2)CC1.

What is the InChIKey of (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is SUIVPQRZVKAYPP-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H37FN4O2/c1-37(25-14-20-38(21-15-25)26-12-18-35-19-13-26)31(39)24-9-8-23-10-11-30(27(23)22-24)36-32(40)33(16-4-5-17-33)28-6-2-3-7-29(28)34/h2-3,6-9,12-13,18-19,22,25,30H,4-5,10-11,14-17,20-21H2,1H3,(H,36,40)/t30-/m1/s1.

What are the key properties of (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?

(3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 540.68 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56941728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).