6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C16H17F3N6O — CID 67239341

IUPAC6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCn1cc(-c2nc(NC3CC(F)(F)CC3N)c(F)c3c2C(=O)NC3)cn1
InChIInChI=1S/C16H17F3N6O/c1-25-6-7(4-22-25)13-11-8(5-21-15(11)26)12(17)14(24-13)23-10-3-16(18,19)2-9(10)20/h4,6,9-10H,2-3,5,20H2,1H3,(H,21,26)(H,23,24)
InChIKeyMVSNAIBOHYBGEN-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.40
Rot. Bonds3

About 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 67239341) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID67239341
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCn1cc(-c2nc(NC3CC(F)(F)CC3N)c(F)c3c2C(=O)NC3)cn1
InChIInChI=1S/C16H17F3N6O/c1-25-6-7(4-22-25)13-11-8(5-21-15(11)26)12(17)14(24-13)23-10-3-16(18,19)2-9(10)20/h4,6,9-10H,2-3,5,20H2,1H3,(H,21,26)(H,23,24)
InChIKeyMVSNAIBOHYBGEN-UHFFFAOYSA-N
XLogP1.40
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 67239341) is 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is Cn1cc(-c2nc(NC3CC(F)(F)CC3N)c(F)c3c2C(=O)NC3)cn1.
What is the InChIKey of 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is MVSNAIBOHYBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-25-6-7(4-22-25)13-11-8(5-21-15(11)26)12(17)14(24-13)23-10-3-16(18,19)2-9(10)20/h4,6,9-10H,2-3,5,20H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 366.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,4-difluorocyclopentyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67239341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).