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

C21H18N4O — CID 154837729

IUPAC(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCc1cccc2cc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)[nH]c12
InChIInChI=1S/C21H18N4O/c1-14-6-5-7-15-10-18(23-20(14)15)21(26)24-12-16-11-22-25(19(16)13-24)17-8-3-2-4-9-17/h2-11,23H,12-13H2,1H3
InChIKeyQBRAUBXORNMFPD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.82
Rot. Bonds2

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

(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 154837729) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID154837729
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCc1cccc2cc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)[nH]c12
InChIInChI=1S/C21H18N4O/c1-14-6-5-7-15-10-18(23-20(14)15)21(26)24-12-16-11-22-25(19(16)13-24)17-8-3-2-4-9-17/h2-11,23H,12-13H2,1H3
InChIKeyQBRAUBXORNMFPD-UHFFFAOYSA-N
XLogP3.82
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
CID 166208726
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
8-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)-4H-1,4-benzoxazin-3-one
CID 155947958
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 166320882
(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 155092510
1-[4-(aminomethyl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 175218547
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1H-indol-2-yl)methanone
CID 56742883
N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 138049856
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 128605086

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 154837729) is (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is Cc1cccc2cc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)[nH]c12.
What is the InChIKey of (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is QBRAUBXORNMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-6-5-7-15-10-18(23-20(14)15)21(26)24-12-16-11-22-25(19(16)13-24)17-8-3-2-4-9-17/h2-11,23H,12-13H2,1H3.
What are the key properties of (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
(7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1H-indol-2-yl)-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 154837729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).