2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C19H24N8O2 — CID 154599650

IUPAC2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESC=CC(=O)N1CCCC(N(C)c2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1
InChIInChI=1S/C19H24N8O2/c1-4-15(28)27-7-5-6-13(11-27)26(3)19-23-14-9-20-18(29)16(14)17(24-19)22-12-8-21-25(2)10-12/h4,8,10,13H,1,5-7,9,11H2,2-3H3,(H,20,29)(H,22,23,24)
InChIKeyLGOMBBAFPRPJKB-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.81
Rot. Bonds5

About 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 154599650) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID154599650
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESC=CC(=O)N1CCCC(N(C)c2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1
InChIInChI=1S/C19H24N8O2/c1-4-15(28)27-7-5-6-13(11-27)26(3)19-23-14-9-20-18(29)16(14)17(24-19)22-12-8-21-25(2)10-12/h4,8,10,13H,1,5-7,9,11H2,2-3H3,(H,20,29)(H,22,23,24)
InChIKeyLGOMBBAFPRPJKB-UHFFFAOYSA-N
XLogP0.81
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anagliptin
CID 44513473
5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
6-Methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 163201216
6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759654
6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760196
6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760198
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-6-(4-methylpiperazin-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760942
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-azetidin-3-ylcarbamoyl)-1H-pyrazol-4-yl]-amide
CID 54760944
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761299
6-cyclopropyl-N-[5-[ethyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54761641
6-cyclopropyl-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54761642
6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54761819

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 154599650) is 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is C=CC(=O)N1CCCC(N(C)c2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1.
What is the InChIKey of 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is LGOMBBAFPRPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-4-15(28)27-7-5-6-13(11-27)26(3)19-23-14-9-20-18(29)16(14)17(24-19)22-12-8-21-25(2)10-12/h4,8,10,13H,1,5-7,9,11H2,2-3H3,(H,20,29)(H,22,23,24).
What are the key properties of 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 396.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-prop-2-enoylpiperidin-3-yl)amino]-4-[(1-methylpyrazol-4-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 154599650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).