7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C38H45N9O2 — CID 178005481

About 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178005481) has the molecular formula C38H45N9O2 and a molecular weight of 659.84 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 178005481
• Molecular Formula: C38H45N9O2
• Molecular Weight: 659.84 g/mol
• Exact Mass: 659.37
• IUPAC Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CCN(c4cccc6c4C4(CC4)C(=O)N6)CC5)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C38H45N9O2/c1-44(2)34(48)30-22-25-23-40-36(43-33(25)47(30)26-6-3-4-7-26)42-31-11-10-27(24-39-31)45-18-14-37(15-19-45)16-20-46(21-17-37)29-9-5-8-28-32(29)38(12-13-38)35(49)41-28/h5,8-11,22-24,26H,3-4,6-7,12-21H2,1-2H3,(H,41,49)(H,39,40,42,43)
• InChIKey: USCWJUVZFGPCMC-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.84
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178005481) is 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CCN(c4cccc6c4C4(CC4)C(=O)N6)CC5)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is USCWJUVZFGPCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N9O2/c1-44(2)34(48)30-22-25-23-40-36(43-33(25)47(30)26-6-3-4-7-26)42-31-11-10-27(24-39-31)45-18-14-37(15-19-45)16-20-46(21-17-37)29-9-5-8-28-32(29)38(12-13-38)35(49)41-28/h5,8-11,22-24,26H,3-4,6-7,12-21H2,1-2H3,(H,41,49)(H,39,40,42,43).

What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 659.84 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178005481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).