2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C29H29ClN4O2 — CID 59505289

About 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 59505289) has the molecular formula C29H29ClN4O2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 59505289
• Molecular Formula: C29H29ClN4O2
• Molecular Weight: 501.03 g/mol
• Exact Mass: 500.20
• IUPAC Name: 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(N[C@@H]1CCc2ccc(C(=O)N3CC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl
• InChI: InChI=1S/C29H29ClN4O2/c30-25-4-2-1-3-23(25)27(35)32-26-8-7-20-5-6-21(17-24(20)26)28(36)34-18-29(19-34)11-15-33(16-12-29)22-9-13-31-14-10-22/h1-6,9-10,13-14,17,26H,7-8,11-12,15-16,18-19H2,(H,32,35)/t26-/m1/s1
• InChIKey: XHZBCYAQKQFJHB-AREMUKBSSA-N
• XLogP: 4.89
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 59505289) is 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@@H]1CCc2ccc(C(=O)N3CC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is XHZBCYAQKQFJHB-AREMUKBSSA-N. The full InChI is InChI=1S/C29H29ClN4O2/c30-25-4-2-1-3-23(25)27(35)32-26-8-7-20-5-6-21(17-24(20)26)28(36)34-18-29(19-34)11-15-33(16-12-29)22-9-13-31-14-10-22/h1-6,9-10,13-14,17,26H,7-8,11-12,15-16,18-19H2,(H,32,35)/t26-/m1/s1.

What are the key properties of 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 501.03 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 59505289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).