4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C24H26N6O3 — CID 164926626

IUPAC4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(-c2ncc(Nc3ccc(N4CCNCC4)cn3)c3c2CNC3=O)c1OC
InChIInChI=1S/C24H26N6O3/c1-32-19-5-3-4-16(23(19)33-2)22-17-13-28-24(31)21(17)18(14-27-22)29-20-7-6-15(12-26-20)30-10-8-25-9-11-30/h3-7,12,14,25H,8-11,13H2,1-2H3,(H,26,29)(H,28,31)
InChIKeyNPPPYNCHZYOJGV-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.56
Rot. Bonds6

About 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 164926626) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID164926626
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(-c2ncc(Nc3ccc(N4CCNCC4)cn3)c3c2CNC3=O)c1OC
InChIInChI=1S/C24H26N6O3/c1-32-19-5-3-4-16(23(19)33-2)22-17-13-28-24(31)21(17)18(14-27-22)29-20-7-6-15(12-26-20)30-10-8-25-9-11-30/h3-7,12,14,25H,8-11,13H2,1-2H3,(H,26,29)(H,28,31)
InChIKeyNPPPYNCHZYOJGV-UHFFFAOYSA-N
XLogP2.56
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 164926626) is 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is COc1cccc(-c2ncc(Nc3ccc(N4CCNCC4)cn3)c3c2CNC3=O)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NPPPYNCHZYOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-32-19-5-3-4-16(23(19)33-2)22-17-13-28-24(31)21(17)18(14-27-22)29-20-7-6-15(12-26-20)30-10-8-25-9-11-30/h3-7,12,14,25H,8-11,13H2,1-2H3,(H,26,29)(H,28,31).
What are the key properties of 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 164926626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).