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

C32H38N6O3 — CID 148859727

IUPAC4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1
InChIInChI=1S/C32H38N6O3/c1-22-31(39)35(2)16-17-37(22)18-19-41-26-7-4-23(5-8-26)24-11-14-38(15-12-24)29-9-6-25(20-34-29)28-21-36(3)32(40)30-27(28)10-13-33-30/h4-10,13,20-22,24,33H,11-12,14-19H2,1-3H3/t22-/m1/s1
InChIKeyOZBVZVJNIPVBJR-JOCHJYFZSA-N
MW554.70 g/mol
LogP3.85
Rot. Bonds7

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

4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 148859727) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-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-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID148859727
Molecular FormulaC32H38N6O3
Molecular Weight554.70 g/mol
Exact Mass554.30
IUPAC Name4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1
InChIInChI=1S/C32H38N6O3/c1-22-31(39)35(2)16-17-37(22)18-19-41-26-7-4-23(5-8-26)24-11-14-38(15-12-24)29-9-6-25(20-34-29)28-21-36(3)32(40)30-27(28)10-13-33-30/h4-10,13,20-22,24,33H,11-12,14-19H2,1-3H3/t22-/m1/s1
InChIKeyOZBVZVJNIPVBJR-JOCHJYFZSA-N
XLogP3.85
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-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-[(2R)-2,4-dimethyl-3-oxopiperazin-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-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 148859727) is 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-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-[(2R)-2,4-dimethyl-3-oxopiperazin-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-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1.
What is the InChIKey of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OZBVZVJNIPVBJR-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H38N6O3/c1-22-31(39)35(2)16-17-37(22)18-19-41-26-7-4-23(5-8-26)24-11-14-38(15-12-24)29-9-6-25(20-34-29)28-21-36(3)32(40)30-27(28)10-13-33-30/h4-10,13,20-22,24,33H,11-12,14-19H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 554.70 g/mol, XLogP of 3.85, 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-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 148859727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).