2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine

C27H26N6 — CID 145248985

IUPAC2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine
SMILESCc1ncc(-c2ccc(N)c(Cc3cc4c(-c5ccc6c(c5)CCC6)cncc4[nH]3)n2)n1C
InChIInChI=1S/C27H26N6/c1-16-30-15-27(33(16)2)24-9-8-23(28)25(32-24)12-20-11-21-22(13-29-14-26(21)31-20)19-7-6-17-4-3-5-18(17)10-19/h6-11,13-15,31H,3-5,12,28H2,1-2H3
InChIKeyDJSFFBOVSUWHHZ-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.00
Rot. Bonds4

About 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine

2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine (PubChem CID 145248985) has the molecular formula C27H26N6 and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine
PubChem CID145248985
Molecular FormulaC27H26N6
Molecular Weight434.55 g/mol
Exact Mass434.22
IUPAC Name2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine
SMILESCc1ncc(-c2ccc(N)c(Cc3cc4c(-c5ccc6c(c5)CCC6)cncc4[nH]3)n2)n1C
InChIInChI=1S/C27H26N6/c1-16-30-15-27(33(16)2)24-9-8-23(28)25(32-24)12-20-11-21-22(13-29-14-26(21)31-20)19-7-6-17-4-3-5-18(17)10-19/h6-11,13-15,31H,3-5,12,28H2,1-2H3
InChIKeyDJSFFBOVSUWHHZ-UHFFFAOYSA-N
XLogP5.00
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine with MolForge

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112402
2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-indol-2-yl]methyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridin-3-amine
CID 145249762
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137087576
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83850139
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311707
3-amino-1-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466908
N-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137040681
4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
CID 54912598
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137033380
5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole
CID 116869108

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine?
The IUPAC name of 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine (CID 145248985) is 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine?
The canonical SMILES for 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine is Cc1ncc(-c2ccc(N)c(Cc3cc4c(-c5ccc6c(c5)CCC6)cncc4[nH]3)n2)n1C.
What is the InChIKey of 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine?
The InChIKey is DJSFFBOVSUWHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6/c1-16-30-15-27(33(16)2)24-9-8-23(28)25(32-24)12-20-11-21-22(13-29-14-26(21)31-20)19-7-6-17-4-3-5-18(17)10-19/h6-11,13-15,31H,3-5,12,28H2,1-2H3.
What are the key properties of 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine?
2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine has a molecular weight of 434.55 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydro-1H-inden-5-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-6-(2,3-dimethylimidazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 145248985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).