cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone

C23H34N4O — CID 170605281

IUPACcyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone
SMILESCNc1cnc2c(c(C3CCN(C(=O)C4CCCC4)C(C)(C)C3)cn2C)c1C
InChIInChI=1S/C23H34N4O/c1-15-19(24-4)13-25-21-20(15)18(14-26(21)5)17-10-11-27(23(2,3)12-17)22(28)16-8-6-7-9-16/h13-14,16-17,24H,6-12H2,1-5H3
InChIKeyCDIFAGWBJWIYMA-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.60
Rot. Bonds3

About cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone

cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone (PubChem CID 170605281) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone
PubChem CID170605281
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Namecyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone
SMILESCNc1cnc2c(c(C3CCN(C(=O)C4CCCC4)C(C)(C)C3)cn2C)c1C
InChIInChI=1S/C23H34N4O/c1-15-19(24-4)13-25-21-20(15)18(14-26(21)5)17-10-11-27(23(2,3)12-17)22(28)16-8-6-7-9-16/h13-14,16-17,24H,6-12H2,1-5H3
InChIKeyCDIFAGWBJWIYMA-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone (CID 170605281) is cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone is CNc1cnc2c(c(C3CCN(C(=O)C4CCCC4)C(C)(C)C3)cn2C)c1C.
What is the InChIKey of cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone?
The InChIKey is CDIFAGWBJWIYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-15-19(24-4)13-25-21-20(15)18(14-26(21)5)17-10-11-27(23(2,3)12-17)22(28)16-8-6-7-9-16/h13-14,16-17,24H,6-12H2,1-5H3.
What are the key properties of cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone?
cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone has a molecular weight of 382.55 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 170605281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).