2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)

C121H175F2N19O6 — CID 158000167

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)
SMILESCC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(N2CCC(F)(F)CC2)nc1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1(C)CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/C15H25N3.C15H24N2.C13H18F2N2.6C13H18N2O/c1-12(2)14-6-5-13(11-17-14)18-9-7-15(3,16-4)8-10-18;1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)11-3-4-12(16-9-11)17-7-5-13(14,15)6-8-17;3*1-9(2)12-5-4-10(7-14-12)11-6-13(16)15(3)8-11;3*1-9(2)12-5-4-10(8-14-12)11-6-7-15(3)13(11)16/h5-6,11-12,16H,7-10H2,1-4H3;5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3
InChIKeyFDQDSMGYJLWMBW-UHFFFAOYSA-N
MW2029.85 g/mol
LogP22.96
Rot. Bonds20

About 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)

2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) (PubChem CID 158000167) has the molecular formula C121H175F2N19O6 and a molecular weight of 2029.85 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one).

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)
PubChem CID158000167
Molecular FormulaC121H175F2N19O6
Molecular Weight2029.85 g/mol
Exact Mass2028.39
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)
SMILESCC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(N2CCC(F)(F)CC2)nc1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1(C)CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/C15H25N3.C15H24N2.C13H18F2N2.6C13H18N2O/c1-12(2)14-6-5-13(11-17-14)18-9-7-15(3,16-4)8-10-18;1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)11-3-4-12(16-9-11)17-7-5-13(14,15)6-8-17;3*1-9(2)12-5-4-10(7-14-12)11-6-13(16)15(3)8-11;3*1-9(2)12-5-4-10(8-14-12)11-6-7-15(3)13(11)16/h5-6,11-12,16H,7-10H2,1-4H3;5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3
InChIKeyFDQDSMGYJLWMBW-UHFFFAOYSA-N
XLogP22.96
TPSA259.62 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.85
LogP ≤ 522.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) with MolForge

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Related Compounds

3-[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]-2H-pyridine-3-carboxamide
CID 66836466
[(3S)-3-[[4-(5-pyridin-4-yl-2-pyridinyl)cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953422
[(3S)-3-[[4-(5-pyridin-3-yl-2-pyridinyl)cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953543
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330064
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
2-Methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145391102
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[3-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132059

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) (CID 158000167) is 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one).
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) is CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(N2CCC(F)(F)CC2)nc1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1(C)CCN(c2ccc(C(C)C)nc2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)?
The InChIKey is FDQDSMGYJLWMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C15H24N2.C13H18F2N2.6C13H18N2O/c1-12(2)14-6-5-13(11-17-14)18-9-7-15(3,16-4)8-10-18;1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)11-3-4-12(16-9-11)17-7-5-13(14,15)6-8-17;3*1-9(2)12-5-4-10(7-14-12)11-6-13(16)15(3)8-11;3*1-9(2)12-5-4-10(8-14-12)11-6-7-15(3)13(11)16/h5-6,11-12,16H,7-10H2,1-4H3;5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)?
2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) has a molecular weight of 2029.85 g/mol, XLogP of 22.96, 20 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one) is sourced from PubChem (CID 158000167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).