3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine

C23H32N4 — CID 58703101

IUPAC3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine
SMILESCCCn1cc(C)c2nc(-c3ccc(C(C)C)nc3NC(C)C)c(C)cc21
InChIInChI=1S/C23H32N4/c1-8-11-27-13-17(7)22-20(27)12-16(6)21(26-22)18-9-10-19(14(2)3)25-23(18)24-15(4)5/h9-10,12-15H,8,11H2,1-7H3,(H,24,25)
InChIKeyHPOCDELKVUWUTO-UHFFFAOYSA-N
MW364.54 g/mol
LogP6.07
Rot. Bonds6

About 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine

3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine (PubChem CID 58703101) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine
PubChem CID58703101
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine
SMILESCCCn1cc(C)c2nc(-c3ccc(C(C)C)nc3NC(C)C)c(C)cc21
InChIInChI=1S/C23H32N4/c1-8-11-27-13-17(7)22-20(27)12-16(6)21(26-22)18-9-10-19(14(2)3)25-23(18)24-15(4)5/h9-10,12-15H,8,11H2,1-7H3,(H,24,25)
InChIKeyHPOCDELKVUWUTO-UHFFFAOYSA-N
XLogP6.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine (CID 58703101) is 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine is CCCn1cc(C)c2nc(-c3ccc(C(C)C)nc3NC(C)C)c(C)cc21.
What is the InChIKey of 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine?
The InChIKey is HPOCDELKVUWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-8-11-27-13-17(7)22-20(27)12-16(6)21(26-22)18-9-10-19(14(2)3)25-23(18)24-15(4)5/h9-10,12-15H,8,11H2,1-7H3,(H,24,25).
What are the key properties of 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine?
3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine has a molecular weight of 364.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-1-propylpyrrolo[3,2-b]pyridin-5-yl)-N,6-di(propan-2-yl)pyridin-2-amine is sourced from PubChem (CID 58703101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).