N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide

C19H22FN7O2 — CID 146367115

IUPACN-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CCN(c2nc(Nc3cnn(C)c3)c3c(c2F)CNC3=O)C1
InChIInChI=1S/C19H22FN7O2/c1-4-14(28)26(3)12-5-6-27(10-12)18-16(20)13-8-21-19(29)15(13)17(24-18)23-11-7-22-25(2)9-11/h4,7,9,12H,1,5-6,8,10H2,2-3H3,(H,21,29)(H,23,24)
InChIKeyKETAVEZWZJDUFR-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.16
Rot. Bonds5

About N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide

N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide (PubChem CID 146367115) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide
PubChem CID146367115
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CCN(c2nc(Nc3cnn(C)c3)c3c(c2F)CNC3=O)C1
InChIInChI=1S/C19H22FN7O2/c1-4-14(28)26(3)12-5-6-27(10-12)18-16(20)13-8-21-19(29)15(13)17(24-18)23-11-7-22-25(2)9-11/h4,7,9,12H,1,5-6,8,10H2,2-3H3,(H,21,29)(H,23,24)
InChIKeyKETAVEZWZJDUFR-UHFFFAOYSA-N
XLogP1.16
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide with MolForge

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Related Compounds

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2-methyl-4-(pyrrolidine-1-carbonyl)-2H-pyrazole-3-carboxylic acid {2-[(2-fluoro-ethyl)-methyl-amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666029
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-7-(1H-pyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 53242134
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
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8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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4-N-(2-fluoroethyl)-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
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CID 57377849

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide?
The IUPAC name of N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide (CID 146367115) is N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide?
The canonical SMILES for N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1CCN(c2nc(Nc3cnn(C)c3)c3c(c2F)CNC3=O)C1.
What is the InChIKey of N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide?
The InChIKey is KETAVEZWZJDUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-4-14(28)26(3)12-5-6-27(10-12)18-16(20)13-8-21-19(29)15(13)17(24-18)23-11-7-22-25(2)9-11/h4,7,9,12H,1,5-6,8,10H2,2-3H3,(H,21,29)(H,23,24).
What are the key properties of N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide?
N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide has a molecular weight of 399.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 146367115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).