7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one

C25H30N6O2 — CID 154968835

IUPAC7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESO=C(c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(CCNC2=O)C3)cc1)N1CCCC1
InChIInChI=1S/C25H30N6O2/c32-22(30-13-3-4-14-30)17-7-9-19(10-8-17)28-24-27-16-18-15-25(11-12-26-23(25)33)31(21(18)29-24)20-5-1-2-6-20/h7-10,16,20H,1-6,11-15H2,(H,26,33)(H,27,28,29)
InChIKeyFZLCLRBVTDALKS-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.02
Rot. Bonds4

About 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one

7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one (PubChem CID 154968835) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
PubChem CID154968835
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESO=C(c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(CCNC2=O)C3)cc1)N1CCCC1
InChIInChI=1S/C25H30N6O2/c32-22(30-13-3-4-14-30)17-7-9-19(10-8-17)28-24-27-16-18-15-25(11-12-26-23(25)33)31(21(18)29-24)20-5-1-2-6-20/h7-10,16,20H,1-6,11-15H2,(H,26,33)(H,27,28,29)
InChIKeyFZLCLRBVTDALKS-UHFFFAOYSA-N
XLogP3.02
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
CID 154968930
(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
CID 167370527
8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 69230577
[4-[[4-(3-cyclopentyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 67037234
(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione
CID 154974255
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
4-[(9-cyclopentyl-7,7-difluoro-6-oxo-5,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 58015148
[4-[[4-(3-cyclobutyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67037204
4-[4-(piperazine-1-carbonyl)anilino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 162360217
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
2-[4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)anilino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851381

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The IUPAC name of 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one (CID 154968835) is 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The canonical SMILES for 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is O=C(c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C2(CCNC2=O)C3)cc1)N1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The InChIKey is FZLCLRBVTDALKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-22(30-13-3-4-14-30)17-7-9-19(10-8-17)28-24-27-16-18-15-25(11-12-26-23(25)33)31(21(18)29-24)20-5-1-2-6-20/h7-10,16,20H,1-6,11-15H2,(H,26,33)(H,27,28,29).
What are the key properties of 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one has a molecular weight of 446.56 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 154968835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).