2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C25H28N4 — CID 170176414

IUPAC2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-n1nc2c(c1-c1cc(C)c(C)c3c1ccn3C)CNCC2
InChIInChI=1S/C25H28N4/c1-15-7-6-8-16(2)23(15)29-25(21-14-26-11-9-22(21)27-29)20-13-17(3)18(4)24-19(20)10-12-28(24)5/h6-8,10,12-13,26H,9,11,14H2,1-5H3
InChIKeyWZHWQQKLXLAHED-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.91
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 170176414) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID170176414
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-n1nc2c(c1-c1cc(C)c(C)c3c1ccn3C)CNCC2
InChIInChI=1S/C25H28N4/c1-15-7-6-8-16(2)23(15)29-25(21-14-26-11-9-22(21)27-29)20-13-17(3)18(4)24-19(20)10-12-28(24)5/h6-8,10,12-13,26H,9,11,14H2,1-5H3
InChIKeyWZHWQQKLXLAHED-UHFFFAOYSA-N
XLogP4.91
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 170176414) is 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1cccc(C)c1-n1nc2c(c1-c1cc(C)c(C)c3c1ccn3C)CNCC2.
What is the InChIKey of 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WZHWQQKLXLAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-15-7-6-8-16(2)23(15)29-25(21-14-26-11-9-22(21)27-29)20-13-17(3)18(4)24-19(20)10-12-28(24)5/h6-8,10,12-13,26H,9,11,14H2,1-5H3.
What are the key properties of 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 384.53 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-3-(1,6,7-trimethylindol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).