N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide

C36H33N5O3 — CID 123599357

IUPACN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]ccc2c1)c1ccc(-n2ccc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C36H33N5O3/c1-39(36(44)27-4-12-33-25(22-27)14-18-37-33)29-8-10-31(11-9-29)41-21-15-26-23-28(5-13-34(26)41)38-35(43)24-2-6-30(7-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,37,42H,16-17,19-20H2,1H3,(H,38,43)
InChIKeyPZIGWXSFYLHZST-UHFFFAOYSA-N
MW583.69 g/mol
LogP6.60
Rot. Bonds6

About N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide (PubChem CID 123599357) has the molecular formula C36H33N5O3 and a molecular weight of 583.69 g/mol. Its IUPAC name is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
PubChem CID123599357
Molecular FormulaC36H33N5O3
Molecular Weight583.69 g/mol
Exact Mass583.26
IUPAC NameN-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]ccc2c1)c1ccc(-n2ccc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1
InChIInChI=1S/C36H33N5O3/c1-39(36(44)27-4-12-33-25(22-27)14-18-37-33)29-8-10-31(11-9-29)41-21-15-26-23-28(5-13-34(26)41)38-35(43)24-2-6-30(7-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,37,42H,16-17,19-20H2,1H3,(H,38,43)
InChIKeyPZIGWXSFYLHZST-UHFFFAOYSA-N
XLogP6.60
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123783407
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide
CID 161074265
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 123742997
methyl 2-[[2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]benzoyl]amino]indol-1-yl]acetyl]amino]acetate
CID 67114159
N-[3-chloro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-indole-5-carboxamide
CID 67113306
N-[1-[2-(cyanomethylamino)-2-oxoethyl]indol-5-yl]-4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]benzamide
CID 87274240
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide
CID 71036590
4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-[3-(1H-indol-6-ylamino)-3-oxopropyl]benzamide
CID 67113560
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
CID 174703326
N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 67113453

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide (CID 123599357) is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide is CN(C(=O)c1ccc2[nH]ccc2c1)c1ccc(-n2ccc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide?
The InChIKey is PZIGWXSFYLHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N5O3/c1-39(36(44)27-4-12-33-25(22-27)14-18-37-33)29-8-10-31(11-9-29)41-21-15-26-23-28(5-13-34(26)41)38-35(43)24-2-6-30(7-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,37,42H,16-17,19-20H2,1H3,(H,38,43).
What are the key properties of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide?
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide has a molecular weight of 583.69 g/mol, XLogP of 6.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 123599357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).