cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C122H162N16O6 — CID 167617059

IUPACcumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc2c(cn1)CCO2.CC(C)c1cc2c(cn1)OCCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCC2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1
InChIInChI=1S/C12H13N.C11H15NO.C10H13NO2.C10H13NO.C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-6-12-10)4-3-7-13-11;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyLWXAHIKFHJXBOK-UHFFFAOYSA-N
MW1948.74 g/mol
LogP30.57
Rot. Bonds14

About cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 167617059) has the molecular formula C122H162N16O6 and a molecular weight of 1948.74 g/mol. Its IUPAC name is cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Namecumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
PubChem CID167617059
Molecular FormulaC122H162N16O6
Molecular Weight1948.74 g/mol
Exact Mass1947.29
IUPAC Namecumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc2c(cn1)CCO2.CC(C)c1cc2c(cn1)OCCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCC2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1
InChIInChI=1S/C12H13N.C11H15NO.C10H13NO2.C10H13NO.C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-6-12-10)4-3-7-13-11;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyLWXAHIKFHJXBOK-UHFFFAOYSA-N
XLogP30.57
TPSA261.62 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.74
LogP ≤ 530.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine 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

7-[[5-[4-amino-5-[(2R)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
CID 156304064
7-[[5-[4-amino-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
CID 156304070
16-[(1-Heptylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134145254
7-[5-[[6-(Azetidin-1-yl)-1,5-naphthyridin-3-yl]oxymethyl]-3-pyridinyl]-5-(oxolan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304066
16-[(1-Ethylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134135304
17-Methoxy-16-[(1-octylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134137492
16-[(1-Hexadecylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134143145
17-Methoxy-16-[(1-octadecylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134146861
16-[(1-Dodecylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134149295
16-[(1-Decylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134150013
17-Methoxy-16-[(1-propylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134150554
17-Methoxy-16-[(1-pentylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134156956

Frequently Asked Questions

What is the IUPAC name of cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The IUPAC name of cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 167617059) is cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.
What is the SMILES notation for cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The canonical SMILES for cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)c1cc2c(cn1)CCO2.CC(C)c1cc2c(cn1)OCCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCC2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.
What is the InChIKey of cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The InChIKey is LWXAHIKFHJXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H15NO.C10H13NO2.C10H13NO.C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-6-12-10)4-3-7-13-11;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-6,8H,3-4,7H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 1948.74 g/mol, XLogP of 30.57, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-propan-2-yl-2,3-dihydrofuro[3,2-c]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 167617059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).