(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone

C21H22ClN5O — CID 163318690

About (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone (PubChem CID 163318690) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
• PubChem CID: 163318690
• Molecular Formula: C21H22ClN5O
• Molecular Weight: 395.89 g/mol
• Exact Mass: 395.15
• IUPAC Name: (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
• SMILES: Cc1c(C(=O)N2CCCC3(CCc4cnc(N)nc43)C2)[nH]c2ccc(Cl)cc12
• InChI: InChI=1S/C21H22ClN5O/c1-12-15-9-14(22)3-4-16(15)25-17(12)19(28)27-8-2-6-21(11-27)7-5-13-10-24-20(23)26-18(13)21/h3-4,9-10,25H,2,5-8,11H2,1H3,(H2,23,24,26)
• InChIKey: FSZDPNMLSBLJJJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 87.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.89
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone?

The IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone (CID 163318690) is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone.

What is the SMILES notation for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone?

The canonical SMILES for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone is Cc1c(C(=O)N2CCCC3(CCc4cnc(N)nc43)C2)[nH]c2ccc(Cl)cc12.

What is the InChIKey of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone?

The InChIKey is FSZDPNMLSBLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-12-15-9-14(22)3-4-16(15)25-17(12)19(28)27-8-2-6-21(11-27)7-5-13-10-24-20(23)26-18(13)21/h3-4,9-10,25H,2,5-8,11H2,1H3,(H2,23,24,26).

What are the key properties of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone?

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 395.89 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 163318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).