6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C31H36N6O3 — CID 146960141

IUPAC6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)CC1=O
InChIInChI=1S/C31H36N6O3/c1-34-15-16-36(21-29(34)38)17-18-40-25-6-3-22(4-7-25)23-10-13-37(14-11-23)28-8-5-24(19-33-28)27-20-35(2)31(39)30-26(27)9-12-32-30/h3-9,12,19-20,23,32H,10-11,13-18,21H2,1-2H3
InChIKeyAKKOXLKFGLTQMR-UHFFFAOYSA-N
MW540.67 g/mol
LogP3.47
Rot. Bonds7

About 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 146960141) has the molecular formula C31H36N6O3 and a molecular weight of 540.67 g/mol. Its IUPAC name is 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID146960141
Molecular FormulaC31H36N6O3
Molecular Weight540.67 g/mol
Exact Mass540.28
IUPAC Name6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCN(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)CC1=O
InChIInChI=1S/C31H36N6O3/c1-34-15-16-36(21-29(34)38)17-18-40-25-6-3-22(4-7-25)23-10-13-37(14-11-23)28-8-5-24(19-33-28)27-20-35(2)31(39)30-26(27)9-12-32-30/h3-9,12,19-20,23,32H,10-11,13-18,21H2,1-2H3
InChIKeyAKKOXLKFGLTQMR-UHFFFAOYSA-N
XLogP3.47
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.67
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 146960141) is 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is CN1CCN(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)CC1=O.
What is the InChIKey of 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is AKKOXLKFGLTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3/c1-34-15-16-36(21-29(34)38)17-18-40-25-6-3-22(4-7-25)23-10-13-37(14-11-23)28-8-5-24(19-33-28)27-20-35(2)31(39)30-26(27)9-12-32-30/h3-9,12,19-20,23,32H,10-11,13-18,21H2,1-2H3.
What are the key properties of 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 540.67 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 146960141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).