tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate

C24H35N5O3 — CID 154684488

About tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate

tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate (PubChem CID 154684488) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate
• PubChem CID: 154684488
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate
• SMILES: CC1CC(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H35N5O3/c1-15-13-16(9-12-28(15)22(31)32-23(2,3)4)26-21-25-14-18-19(27-21)29(17-7-5-6-8-17)20(30)24(18)10-11-24/h14-17H,5-13H2,1-4H3,(H,25,26,27)
• InChIKey: RKSLJWPRYPMZNV-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate (CID 154684488) is tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate is CC1CC(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate?

The InChIKey is RKSLJWPRYPMZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-15-13-16(9-12-28(15)22(31)32-23(2,3)4)26-21-25-14-18-19(27-21)29(17-7-5-6-8-17)20(30)24(18)10-11-24/h14-17H,5-13H2,1-4H3,(H,25,26,27).

What are the key properties of tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate?

tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate has a molecular weight of 441.58 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(7'-cyclopentyl-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl)amino]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 154684488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).