N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide

C26H22N4O2 — CID 15986953

IUPACN-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(c1ccc3cn[nH]c3c1)C2=O
InChIInChI=1S/C26H22N4O2/c1-15-2-3-17(25(31)28-20-6-7-20)11-23(15)16-5-9-22-19(10-16)14-30(26(22)32)21-8-4-18-13-27-29-24(18)12-21/h2-5,8-13,20H,6-7,14H2,1H3,(H,27,29)(H,28,31)
InChIKeyHQOUJOXXHGEJMQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.59
Rot. Bonds4

About N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide

N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide (PubChem CID 15986953) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
PubChem CID15986953
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(c1ccc3cn[nH]c3c1)C2=O
InChIInChI=1S/C26H22N4O2/c1-15-2-3-17(25(31)28-20-6-7-20)11-23(15)16-5-9-22-19(10-16)14-30(26(22)32)21-8-4-18-13-27-29-24(18)12-21/h2-5,8-13,20H,6-7,14H2,1H3,(H,27,29)(H,28,31)
InChIKeyHQOUJOXXHGEJMQ-UHFFFAOYSA-N
XLogP4.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
CID 91134825
N-(1-propylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 60715287
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250
N-cyclopropyl-3-[2-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
CID 15986498
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 155505202
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)-2-oxoquinazolin-6-yl]benzamide
CID 23658560
N-(5-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 114156980

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide (CID 15986953) is N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(c1ccc3cn[nH]c3c1)C2=O.
What is the InChIKey of N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The InChIKey is HQOUJOXXHGEJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-15-2-3-17(25(31)28-20-6-7-20)11-23(15)16-5-9-22-19(10-16)14-30(26(22)32)21-8-4-18-13-27-29-24(18)12-21/h2-5,8-13,20H,6-7,14H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide has a molecular weight of 422.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 15986953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).