5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)

C145H213F2N25O6 — CID 162077339

IUPAC5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)cn1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1CCN(c2cccc(C(C)C)n2)C1.CN[C@@H]1CCN(c2cccc(C(C)C)n2)C1.CN[C@H]1CCN(c2cccc(C(C)C)n2)C1
InChIInChI=1S/C15H24N2.C13H18F2N2.3C13H21N3.6C13H18N2O/c1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17;3*1-10(2)12-5-4-6-13(15-12)16-8-7-11(9-16)14-3;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/h5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-6,10-11,14H,7-9H2,1-3H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3/t;;2*11-;;;;;;;/m..10......./s1
InChIKeyZBWMAZHBOXXFMC-HEWUYWPOSA-N
MW2440.46 g/mol
LogP26.19
Rot. Bonds26

About 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)

5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 162077339) has the molecular formula C145H213F2N25O6 and a molecular weight of 2440.46 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 Name5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 CID162077339
Molecular FormulaC145H213F2N25O6
Molecular Weight2440.46 g/mol
Exact Mass2438.71
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)cn1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1CCN(c2cccc(C(C)C)n2)C1.CN[C@@H]1CCN(c2cccc(C(C)C)n2)C1.CN[C@H]1CCN(c2cccc(C(C)C)n2)C1
InChIInChI=1S/C15H24N2.C13H18F2N2.3C13H21N3.6C13H18N2O/c1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17;3*1-10(2)12-5-4-6-13(15-12)16-8-7-11(9-16)14-3;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/h5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-6,10-11,14H,7-9H2,1-3H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3/t;;2*11-;;;;;;;/m..10......./s1
InChIKeyZBWMAZHBOXXFMC-HEWUYWPOSA-N
XLogP26.19
TPSA315.94 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.46
LogP ≤ 526.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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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Launch Full Analysis

Related Compounds

1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119099002
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 119098993
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-pyrazin-2-yl-2-pyridinyl)cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953451
[(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
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
[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
N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 134340972
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

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 162077339) is 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)cn1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1CCN(c2cccc(C(C)C)n2)C1.CN[C@@H]1CCN(c2cccc(C(C)C)n2)C1.CN[C@H]1CCN(c2cccc(C(C)C)n2)C1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 ZBWMAZHBOXXFMC-HEWUYWPOSA-N. The full InChI is InChI=1S/C15H24N2.C13H18F2N2.3C13H21N3.6C13H18N2O/c1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17;3*1-10(2)12-5-4-6-13(15-12)16-8-7-11(9-16)14-3;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/h5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-6,10-11,14H,7-9H2,1-3H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3/t;;2*11-;;;;;;;/m..10......./s1.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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)?
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 2440.46 g/mol, XLogP of 26.19, 26 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;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 162077339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).