(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C15H12F2N4O — CID 166320882

IUPAC(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2
InChIInChI=1S/C15H12F2N4O/c1-20-13-7-21(6-8(13)5-18-20)15(22)12-4-9-10(16)2-3-11(17)14(9)19-12/h2-5,19H,6-7H2,1H3
InChIKeyAHUFZDBEQZUQOM-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.34
Rot. Bonds1

About (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 166320882) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID166320882
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2
InChIInChI=1S/C15H12F2N4O/c1-20-13-7-21(6-8(13)5-18-20)15(22)12-4-9-10(16)2-3-11(17)14(9)19-12/h2-5,19H,6-7H2,1H3
InChIKeyAHUFZDBEQZUQOM-UHFFFAOYSA-N
XLogP2.34
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(3-ethyl-4-pyridinyl)-7-fluoro-2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 177170593
(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166205131
1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 167750680
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 166251917
(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 154837729
(7-fluoro-4-methoxy-1H-indol-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 136538978
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 139007473
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 74250471
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 166203080
1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 146144583
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 56746814

Frequently Asked Questions

What is the IUPAC name of (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 166320882) is (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is Cn1ncc2c1CN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2.
What is the InChIKey of (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is AHUFZDBEQZUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-20-13-7-21(6-8(13)5-18-20)15(22)12-4-9-10(16)2-3-11(17)14(9)19-12/h2-5,19H,6-7H2,1H3.
What are the key properties of (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 302.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 166320882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).