(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C27H26N4O — CID 51854405

IUPAC(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12
InChIInChI=1S/C27H26N4O/c1-17-14-21-10-6-7-11-24(21)31(17)27(32)22-15-23(20-12-13-20)28-26-25(22)18(2)29-30(26)16-19-8-4-3-5-9-19/h3-11,15,17,20H,12-14,16H2,1-2H3/t17-/m1/s1
InChIKeyKFDILSOKQIIBGM-QGZVFWFLSA-N
MW422.53 g/mol
LogP5.26
Rot. Bonds4

About (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 51854405) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID51854405
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12
InChIInChI=1S/C27H26N4O/c1-17-14-21-10-6-7-11-24(21)31(17)27(32)22-15-23(20-12-13-20)28-26-25(22)18(2)29-30(26)16-19-8-4-3-5-9-19/h3-11,15,17,20H,12-14,16H2,1-2H3/t17-/m1/s1
InChIKeyKFDILSOKQIIBGM-QGZVFWFLSA-N
XLogP5.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44823411
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 34217550
1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620216
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995972
(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19916387
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(1-benzylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 99585246
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 51854405) is (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12.
What is the InChIKey of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is KFDILSOKQIIBGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H26N4O/c1-17-14-21-10-6-7-11-24(21)31(17)27(32)22-15-23(20-12-13-20)28-26-25(22)18(2)29-30(26)16-19-8-4-3-5-9-19/h3-11,15,17,20H,12-14,16H2,1-2H3/t17-/m1/s1.
What are the key properties of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 51854405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).