cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole

C65H90N10O — CID 158871271

IUPACcumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=CC1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1
InChIInChI=1S/C10H12N2.C10H13NO.C9H12.2C8H11N.C7H10N2.C7H11N.C6H10N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyJBWJYUBDLNTQHC-UHFFFAOYSA-N
MW1027.50 g/mol
LogP17.61
Rot. Bonds8

About cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole

cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole (PubChem CID 158871271) has the molecular formula C65H90N10O and a molecular weight of 1027.50 g/mol. Its IUPAC name is cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Namecumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole
PubChem CID158871271
Molecular FormulaC65H90N10O
Molecular Weight1027.50 g/mol
Exact Mass1026.73
IUPAC Namecumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=CC1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1
InChIInChI=1S/C10H12N2.C10H13NO.C9H12.2C8H11N.C7H10N2.C7H11N.C6H10N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyJBWJYUBDLNTQHC-UHFFFAOYSA-N
XLogP17.61
TPSA142.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.50
LogP ≤ 517.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

5-{5-[(2S)-2-amino-3-[3-(piperidin-4-ylmethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731663
(S)-1-(5-(3-(1H-pyrrol-2-yl)-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 135443345
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(piperidin-4-ylmethoxy)phenyl)propan-2-amine
CID 45481746
5-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]-1H-indole
CID 122180610
5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116653
3-[1H-indol-3-yl-[1-(2-methoxyphenyl)triazol-4-yl]methyl]-1H-indole
CID 145980556
3-(7-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 136199390
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 56970503
5-[1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole
CID 56970506
5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959917
5-(2-fluoro-3-methoxyphenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67959918
(2S)-1-[[6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole?
The IUPAC name of cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole (CID 158871271) is cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole?
The canonical SMILES for cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole is CC(C)C1=NC=CC1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.
What is the InChIKey of cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole?
The InChIKey is JBWJYUBDLNTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H13NO.C9H12.2C8H11N.C7H10N2.C7H11N.C6H10N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole?
cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole has a molecular weight of 1027.50 g/mol, XLogP of 17.61, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 158871271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).