5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol

C107H162N18O9S2 — CID 157358457

IUPAC5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
SMILESCC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(N2CCN(CCO)CC2)ccn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(N2CCN(CCO)CC2)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1cccnc1.CC(C)c1ccncc1.COc1cccc(C(C)C)n1
InChIInChI=1S/2C14H23N3O.C13H20N2O2S.C12H18N2O.C11H16N2.C10H16N2O2S.C9H13NO.C8H11NO.2C8H11N/c1-12(2)14-11-13(3-4-15-14)17-7-5-16(6-8-17)9-10-18;1-12(2)14-4-3-13(11-15-14)17-7-5-16(6-8-17)9-10-18;1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)8-5-4-6-9(10-8)11-3;1-6(2)8-5-7(10)3-4-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h2*3-4,11-12,18H,5-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3
InChIKeyBIIZFPLJAHVYCV-UHFFFAOYSA-N
MW1908.72 g/mol
LogP18.53
Rot. Bonds23

About 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol

5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 157358457) has the molecular formula C107H162N18O9S2 and a molecular weight of 1908.72 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
PubChem CID157358457
Molecular FormulaC107H162N18O9S2
Molecular Weight1908.72 g/mol
Exact Mass1907.22
IUPAC Name5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
SMILESCC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(N2CCN(CCO)CC2)ccn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(N2CCN(CCO)CC2)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1cccnc1.CC(C)c1ccncc1.COc1cccc(C(C)C)n1
InChIInChI=1S/2C14H23N3O.C13H20N2O2S.C12H18N2O.C11H16N2.C10H16N2O2S.C9H13NO.C8H11NO.2C8H11N/c1-12(2)14-11-13(3-4-15-14)17-7-5-16(6-8-17)9-10-18;1-12(2)14-4-3-13(11-15-14)17-7-5-16(6-8-17)9-10-18;1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)8-5-4-6-9(10-8)11-3;1-6(2)8-5-7(10)3-4-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h2*3-4,11-12,18H,5-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3
InChIKeyBIIZFPLJAHVYCV-UHFFFAOYSA-N
XLogP18.53
TPSA310.78 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.72
LogP ≤ 518.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 158628488
2-methoxy-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 158646922

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol?
The IUPAC name of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol (CID 157358457) is 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol?
The canonical SMILES for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol is CC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(N2CCN(CCO)CC2)ccn1.CC(C)c1ccc(C2CNC2)cn1.CC(C)c1ccc(N2CCN(CCO)CC2)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccc(S(=O)(=O)N(C)C)cn1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1.CC(C)c1cccnc1.CC(C)c1ccncc1.COc1cccc(C(C)C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol?
The InChIKey is BIIZFPLJAHVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N3O.C13H20N2O2S.C12H18N2O.C11H16N2.C10H16N2O2S.C9H13NO.C8H11NO.2C8H11N/c1-12(2)14-11-13(3-4-15-14)17-7-5-16(6-8-17)9-10-18;1-12(2)14-4-3-13(11-15-14)17-7-5-16(6-8-17)9-10-18;1-11(2)13-7-6-12(10-14-13)18(16,17)15-8-4-3-5-9-15;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)11-4-3-9(7-13-11)10-5-12-6-10;1-8(2)10-6-5-9(7-11-10)15(13,14)12(3)4;1-7(2)8-5-4-6-9(10-8)11-3;1-6(2)8-5-7(10)3-4-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h2*3-4,11-12,18H,5-10H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-4,7-8,10,12H,5-6H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol?
5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol has a molecular weight of 1908.72 g/mol, XLogP of 18.53, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;2-methoxy-6-propan-2-ylpyridine;5-piperidin-1-ylsulfonyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyridin-4-one;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 157358457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).