(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane

C17H28N2S — CID 167021546

IUPAC(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCc1ccnc2c1ccn2S(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H28N2S/c1-12(2)20(13(3)4,14(5)6)19-11-9-16-15(7)8-10-18-17(16)19/h8-14H,1-7H3
InChIKeyWYYALNDQGTVOCN-UHFFFAOYSA-N
MW292.49 g/mol
LogP5.14
Rot. Bonds4

About (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane

(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane (PubChem CID 167021546) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane
PubChem CID167021546
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCc1ccnc2c1ccn2S(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H28N2S/c1-12(2)20(13(3)4,14(5)6)19-11-9-16-15(7)8-10-18-17(16)19/h8-14H,1-7H3
InChIKeyWYYALNDQGTVOCN-UHFFFAOYSA-N
XLogP5.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The IUPAC name of (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane (CID 167021546) is (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The canonical SMILES for (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane is Cc1ccnc2c1ccn2S(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane?
The InChIKey is WYYALNDQGTVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-12(2)20(13(3)4,14(5)6)19-11-9-16-15(7)8-10-18-17(16)19/h8-14H,1-7H3.
What are the key properties of (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane?
(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane has a molecular weight of 292.49 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 167021546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).