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

C19H19N7O2 — CID 164926773

IUPAC4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c(-c3cnco3)ncc(Nc3ccc(N4CCNCC4)cn3)c21
InChIInChI=1S/C19H19N7O2/c27-19-17-13(8-24-19)18(15-10-21-11-28-15)23-9-14(17)25-16-2-1-12(7-22-16)26-5-3-20-4-6-26/h1-2,7,9-11,20H,3-6,8H2,(H,22,25)(H,24,27)
InChIKeyIWYLQNPTEUMCIS-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.53
Rot. Bonds4

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

4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 164926773) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID164926773
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c(-c3cnco3)ncc(Nc3ccc(N4CCNCC4)cn3)c21
InChIInChI=1S/C19H19N7O2/c27-19-17-13(8-24-19)18(15-10-21-11-28-15)23-9-14(17)25-16-2-1-12(7-22-16)26-5-3-20-4-6-26/h1-2,7,9-11,20H,3-6,8H2,(H,22,25)(H,24,27)
InChIKeyIWYLQNPTEUMCIS-UHFFFAOYSA-N
XLogP1.53
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-phenyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926630
4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926724
4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926873
ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
CID 164926987
4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926626
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651725
7-[[5-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-4-pyridin-4-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926726
4-imidazo[1,2-a]pyridin-3-yl-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;propan-2-ol
CID 156652086
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 164926878

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 164926773) is 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1NCc2c(-c3cnco3)ncc(Nc3ccc(N4CCNCC4)cn3)c21.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is IWYLQNPTEUMCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c27-19-17-13(8-24-19)18(15-10-21-11-28-15)23-9-14(17)25-16-2-1-12(7-22-16)26-5-3-20-4-6-26/h1-2,7,9-11,20H,3-6,8H2,(H,22,25)(H,24,27).
What are the key properties of 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 377.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 164926773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).