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

C27H35N7O2 — CID 154968930

IUPAC(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESCN(C)[C@H]1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)[C@]3(CCNC3=O)C4)cc2)C1
InChIInChI=1S/C27H35N7O2/c1-32(2)22-11-14-33(17-22)24(35)18-7-9-20(10-8-18)30-26-29-16-19-15-27(12-13-28-25(27)36)34(23(19)31-26)21-5-3-4-6-21/h7-10,16,21-22H,3-6,11-15,17H2,1-2H3,(H,28,36)(H,29,30,31)/t22-,27+/m0/s1
InChIKeyVVXVJQNTKPYLGJ-WXVAWEFUSA-N
MW489.62 g/mol
LogP2.56
Rot. Bonds5

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

(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one (PubChem CID 154968930) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
PubChem CID154968930
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESCN(C)[C@H]1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)[C@]3(CCNC3=O)C4)cc2)C1
InChIInChI=1S/C27H35N7O2/c1-32(2)22-11-14-33(17-22)24(35)18-7-9-20(10-8-18)30-26-29-16-19-15-27(12-13-28-25(27)36)34(23(19)31-26)21-5-3-4-6-21/h7-10,16,21-22H,3-6,11-15,17H2,1-2H3,(H,28,36)(H,29,30,31)/t22-,27+/m0/s1
InChIKeyVVXVJQNTKPYLGJ-WXVAWEFUSA-N
XLogP2.56
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
CID 154968835
[4-[[4-(3-cyclobutyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 67037927
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
CID 24794840
(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione
CID 154974255
[4-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59468364
(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
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]methanone
CID 67037434
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]methanone
CID 67037513
2-[4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)anilino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851381
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 68681016
[(3S)-3-[cyclobutyl(methyl)amino]pyrrolidin-1-yl]-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 154486131
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The IUPAC name of (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) is (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.
What is the SMILES notation for (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The canonical SMILES for (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is CN(C)[C@H]1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)[C@]3(CCNC3=O)C4)cc2)C1.
What is the InChIKey of (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The InChIKey is VVXVJQNTKPYLGJ-WXVAWEFUSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-32(2)22-11-14-33(17-22)24(35)18-7-9-20(10-8-18)30-26-29-16-19-15-27(12-13-28-25(27)36)34(23(19)31-26)21-5-3-4-6-21/h7-10,16,21-22H,3-6,11-15,17H2,1-2H3,(H,28,36)(H,29,30,31)/t22-,27+/m0/s1.
What are the key properties of (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one has a molecular weight of 489.62 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 154968930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).