2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

C123H180ClF3N14O3 — CID 157414372

IUPAC2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2.C13H15N.C12H18N2O.C12H18N2.C12H17NO.C11H16N2O.C11H16N2.C10H14.2C9H12.C8H10ClF3N2.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;4H,1-3H3;3*1H4
InChIKeyBOQZUFWZUNAGNN-UHFFFAOYSA-N
MW1995.33 g/mol
LogP32.59
Rot. Bonds16

About 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 157414372) has the molecular formula C123H180ClF3N14O3 and a molecular weight of 1995.33 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID157414372
Molecular FormulaC123H180ClF3N14O3
Molecular Weight1995.33 g/mol
Exact Mass1993.40
IUPAC Name2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2.C13H15N.C12H18N2O.C12H18N2.C12H17NO.C11H16N2O.C11H16N2.C10H14.2C9H12.C8H10ClF3N2.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;4H,1-3H3;3*1H4
InChIKeyBOQZUFWZUNAGNN-UHFFFAOYSA-N
XLogP32.59
TPSA134.33 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.33
LogP ≤ 532.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Related Compounds

[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea;[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]urea
CID 157481175
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea;[4-[2-(2,6-dimethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]urea
CID 159910558
2-(Azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;bis(4-(4-propan-2-yl-2-pyridinyl)morpholine);4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 160672272
2-(Azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;methane;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 161600200
(19R)-5-chloro-3-(2,2-difluoroethyl)-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(cyclopropylmethyl)-10,16,19-trimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;(19R)-3-(2,2-difluoroethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
CID 165034601
3-[1-[1-(2-chloro-5-ethoxy-4-fluorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167606650
4-Chloro-1-[4-[1-[[1-[4-[1-[[1-(4-pyridin-3-yltriazol-1-yl)isoquinolin-4-yl]oxymethyl]pyridin-1-ium-3-yl]pyrazol-1-yl]isoquinolin-4-yl]oxymethyl]pyridin-1-ium-3-yl]triazol-2-yl]isoquinoline
CID 177329598

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 157414372) is 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is C.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is BOQZUFWZUNAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C13H15N.C12H18N2O.C12H18N2.C12H17NO.C11H16N2O.C11H16N2.C10H14.2C9H12.C8H10ClF3N2.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;4H,1-3H3;3*1H4.
What are the key properties of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 1995.33 g/mol, XLogP of 32.59, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 157414372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).