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

C34H42N6O3 — CID 146717359

IUPAC4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)N1C[C@@H](C)N(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)[C@@H](C)C1
InChIInChI=1S/C34H42N6O3/c1-23-20-39(25(3)41)21-24(2)40(23)17-18-43-29-8-5-26(6-9-29)27-12-15-38(16-13-27)32-10-7-28(19-36-32)31-22-37(4)34(42)33-30(31)11-14-35-33/h5-11,14,19,22-24,27,35H,12-13,15-18,20-21H2,1-4H3/t23-,24+
InChIKeyREAXIVJEFDDZDB-PSWAGMNNSA-N
MW582.75 g/mol
LogP4.63
Rot. Bonds7

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

4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 146717359) has the molecular formula C34H42N6O3 and a molecular weight of 582.75 g/mol. Its IUPAC name is 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID146717359
Molecular FormulaC34H42N6O3
Molecular Weight582.75 g/mol
Exact Mass582.33
IUPAC Name4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)N1C[C@@H](C)N(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)[C@@H](C)C1
InChIInChI=1S/C34H42N6O3/c1-23-20-39(25(3)41)21-24(2)40(23)17-18-43-29-8-5-26(6-9-29)27-12-15-38(16-13-27)32-10-7-28(19-36-32)31-22-37(4)34(42)33-30(31)11-14-35-33/h5-11,14,19,22-24,27,35H,12-13,15-18,20-21H2,1-4H3/t23-,24+
InChIKeyREAXIVJEFDDZDB-PSWAGMNNSA-N
XLogP4.63
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.75
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 146717359) is 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is CC(=O)N1C[C@@H](C)N(CCOc2ccc(C3CCN(c4ccc(-c5cn(C)c(=O)c6[nH]ccc56)cn4)CC3)cc2)[C@@H](C)C1.
What is the InChIKey of 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is REAXIVJEFDDZDB-PSWAGMNNSA-N. The full InChI is InChI=1S/C34H42N6O3/c1-23-20-39(25(3)41)21-24(2)40(23)17-18-43-29-8-5-26(6-9-29)27-12-15-38(16-13-27)32-10-7-28(19-36-32)31-22-37(4)34(42)33-30(31)11-14-35-33/h5-11,14,19,22-24,27,35H,12-13,15-18,20-21H2,1-4H3/t23-,24+.
What are the key properties of 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 582.75 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 146717359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).