3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine

C22H29N3 — CID 71157475

IUPAC3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine
SMILESCc1cc2c(nc1-c1ccc(C(C)C)nc1C)c(C)cn2CC(C)C
InChIInChI=1S/C22H29N3/c1-13(2)11-25-12-16(6)22-20(25)10-15(5)21(24-22)18-8-9-19(14(3)4)23-17(18)7/h8-10,12-14H,11H2,1-7H3
InChIKeyLKNAVERDSXPYPC-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.80
Rot. Bonds4

About 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine

3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine (PubChem CID 71157475) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine
PubChem CID71157475
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine
SMILESCc1cc2c(nc1-c1ccc(C(C)C)nc1C)c(C)cn2CC(C)C
InChIInChI=1S/C22H29N3/c1-13(2)11-25-12-16(6)22-20(25)10-15(5)21(24-22)18-8-9-19(14(3)4)23-17(18)7/h8-10,12-14H,11H2,1-7H3
InChIKeyLKNAVERDSXPYPC-UHFFFAOYSA-N
XLogP5.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine (CID 71157475) is 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine is Cc1cc2c(nc1-c1ccc(C(C)C)nc1C)c(C)cn2CC(C)C.
What is the InChIKey of 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine?
The InChIKey is LKNAVERDSXPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-13(2)11-25-12-16(6)22-20(25)10-15(5)21(24-22)18-8-9-19(14(3)4)23-17(18)7/h8-10,12-14H,11H2,1-7H3.
What are the key properties of 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine?
3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine has a molecular weight of 335.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71157475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).