N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide

C35H29N5O4 — CID 171698643

IUPACN-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(N6C(=O)c7ccccc7C6=O)cc5)CC4)cc3)ccc21
InChIInChI=1S/C35H29N5O4/c1-38-31-15-10-25(20-26(31)21-36-38)32(41)37-27-11-6-22(7-12-27)23-16-18-39(19-17-23)33(42)24-8-13-28(14-9-24)40-34(43)29-4-2-3-5-30(29)35(40)44/h2-15,20-21,23H,16-19H2,1H3,(H,37,41)
InChIKeyHBURFRLWQUUADX-UHFFFAOYSA-N
MW583.65 g/mol
LogP5.65
Rot. Bonds5

About N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide

N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide (PubChem CID 171698643) has the molecular formula C35H29N5O4 and a molecular weight of 583.65 g/mol. Its IUPAC name is N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
PubChem CID171698643
Molecular FormulaC35H29N5O4
Molecular Weight583.65 g/mol
Exact Mass583.22
IUPAC NameN-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(N6C(=O)c7ccccc7C6=O)cc5)CC4)cc3)ccc21
InChIInChI=1S/C35H29N5O4/c1-38-31-15-10-25(20-26(31)21-36-38)32(41)37-27-11-6-22(7-12-27)23-16-18-39(19-17-23)33(42)24-8-13-28(14-9-24)40-34(43)29-4-2-3-5-30(29)35(40)44/h2-15,20-21,23H,16-19H2,1H3,(H,37,41)
InChIKeyHBURFRLWQUUADX-UHFFFAOYSA-N
XLogP5.65
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-2-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 171698576
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
CID 171681800
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 171684402
N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171684559
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide?
The IUPAC name of N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide (CID 171698643) is N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(=O)Nc3ccc(C4CCN(C(=O)c5ccc(N6C(=O)c7ccccc7C6=O)cc5)CC4)cc3)ccc21.
What is the InChIKey of N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide?
The InChIKey is HBURFRLWQUUADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N5O4/c1-38-31-15-10-25(20-26(31)21-36-38)32(41)37-27-11-6-22(7-12-27)23-16-18-39(19-17-23)33(42)24-8-13-28(14-9-24)40-34(43)29-4-2-3-5-30(29)35(40)44/h2-15,20-21,23H,16-19H2,1H3,(H,37,41).
What are the key properties of N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide?
N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide has a molecular weight of 583.65 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 171698643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).