cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile

C119H140F8N22O14S3 — CID 159240421

About cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile

cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile (PubChem CID 159240421) has the molecular formula C119H140F8N22O14S3 and a molecular weight of 2350.75 g/mol. Its IUPAC name is cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile.

Molecular Properties

• Compound Name: cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile
• PubChem CID: 159240421
• Molecular Formula: C119H140F8N22O14S3
• Molecular Weight: 2350.75 g/mol
• Exact Mass: 2349.00
• IUPAC Name: cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile
• SMILES: CC1(C#N)CCCC1.CC1(C=O)CCCC1.CC1([C@@H](CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCC1.CC1([C@H](CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCC1.CCOC(=O)CC(N)C1(C)CCCC1.CCOC(=O)CC(Nc1nc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(F)cc23)ncc1F)C1(C)CCCC1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(S(C)=O)n3)c3cc(F)cnc32)cc1.N#CC1CCCC1
• InChI: InChI=1S/C29H31F2N5O4S.2C20H21F2N5O2.C19H14F2N4O3S2.C11H21NO2.C7H11N.C7H12O.C6H9N/c1-4-40-25(37)14-24(29(3)11-5-6-12-29)34-27-23(31)16-32-26(35-27)22-17-36(28-21(22)13-19(30)15-33-28)41(38,39)20-9-7-18(2)8-10-20;2*1-20(4-2-3-5-20)15(7-16(28)29)26-19-14(22)10-25-18(27-19)13-9-24-17-12(13)6-11(21)8-23-17;1-11-3-5-13(6-4-11)30(27,28)25-10-15(14-7-12(20)8-23-18(14)25)17-22-9-16(21)19(24-17)29(2)26;1-3-14-10(13)8-9(12)11(2)6-4-5-7-11;2*1-7(6-8)4-2-3-5-7;7-5-6-3-1-2-4-6/h7-10,13,15-17,24H,4-6,11-12,14H2,1-3H3,(H,32,34,35);2*6,8-10,15H,2-5,7H2,1H3,(H,23,24)(H,28,29)(H,25,26,27);3-10H,1-2H3;9H,3-8,12H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;6H,1-4H2/t;2*15-;;;;;/m.10...../s1
• InChIKey: KUACMVQVPONAGH-RHVKAVEKSA-N
• XLogP: 24.36
• TPSA: 535.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.75
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile?

The IUPAC name of cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile (CID 159240421) is cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile.

What is the SMILES notation for cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile?

The canonical SMILES for cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile is CC1(C#N)CCCC1.CC1(C=O)CCCC1.CC1([C@@H](CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCC1.CC1([C@H](CC(=O)O)Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCCC1.CCOC(=O)CC(N)C1(C)CCCC1.CCOC(=O)CC(Nc1nc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(F)cc23)ncc1F)C1(C)CCCC1.Cc1ccc(S(=O)(=O)n2cc(-c3ncc(F)c(S(C)=O)n3)c3cc(F)cnc32)cc1.N#CC1CCCC1.

What is the InChIKey of cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile?

The InChIKey is KUACMVQVPONAGH-RHVKAVEKSA-N. The full InChI is InChI=1S/C29H31F2N5O4S.2C20H21F2N5O2.C19H14F2N4O3S2.C11H21NO2.C7H11N.C7H12O.C6H9N/c1-4-40-25(37)14-24(29(3)11-5-6-12-29)34-27-23(31)16-32-26(35-27)22-17-36(28-21(22)13-19(30)15-33-28)41(38,39)20-9-7-18(2)8-10-20;2*1-20(4-2-3-5-20)15(7-16(28)29)26-19-14(22)10-25-18(27-19)13-9-24-17-12(13)6-11(21)8-23-17;1-11-3-5-13(6-4-11)30(27,28)25-10-15(14-7-12(20)8-23-18(14)25)17-22-9-16(21)19(24-17)29(2)26;1-3-14-10(13)8-9(12)11(2)6-4-5-7-11;2*1-7(6-8)4-2-3-5-7;7-5-6-3-1-2-4-6/h7-10,13,15-17,24H,4-6,11-12,14H2,1-3H3,(H,32,34,35);2*6,8-10,15H,2-5,7H2,1H3,(H,23,24)(H,28,29)(H,25,26,27);3-10H,1-2H3;9H,3-8,12H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;6H,1-4H2/t;2*15-;;;;;/m.10...../s1.

What are the key properties of cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile?

cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile has a molecular weight of 2350.75 g/mol, XLogP of 24.36, 30 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentanecarbonitrile;ethyl 3-amino-3-(1-methylcyclopentyl)propanoate;ethyl 3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoate;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;(3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclopentyl)propanoic acid;1-methylcyclopentane-1-carbaldehyde;1-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 159240421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).