2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H28N8O — CID 175777554

IUPAC2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(c2ccc(Nc3cncc4c3C(=O)N(c3ccnc(N(C)C)c3)C4)nc2)CC1
InChIInChI=1S/C24H28N8O/c1-29(2)22-12-18(6-7-26-22)32-16-17-13-25-15-20(23(17)24(32)33)28-21-5-4-19(14-27-21)31-10-8-30(3)9-11-31/h4-7,12-15H,8-11,16H2,1-3H3,(H,27,28)
InChIKeyXSTUGFLTCOVKQI-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.59
Rot. Bonds5

About 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one

2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 175777554) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID175777554
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(c2ccc(Nc3cncc4c3C(=O)N(c3ccnc(N(C)C)c3)C4)nc2)CC1
InChIInChI=1S/C24H28N8O/c1-29(2)22-12-18(6-7-26-22)32-16-17-13-25-15-20(23(17)24(32)33)28-21-5-4-19(14-27-21)31-10-8-30(3)9-11-31/h4-7,12-15H,8-11,16H2,1-3H3,(H,27,28)
InChIKeyXSTUGFLTCOVKQI-UHFFFAOYSA-N
XLogP2.59
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

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CID 135905416
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CID 46208355
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
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2-(2,6-Difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 175777554) is 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is CN1CCN(c2ccc(Nc3cncc4c3C(=O)N(c3ccnc(N(C)C)c3)C4)nc2)CC1.
What is the InChIKey of 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is XSTUGFLTCOVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-29(2)22-12-18(6-7-26-22)32-16-17-13-25-15-20(23(17)24(32)33)28-21-5-4-19(14-27-21)31-10-8-30(3)9-11-31/h4-7,12-15H,8-11,16H2,1-3H3,(H,27,28).
What are the key properties of 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 444.54 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 175777554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).