N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide

C35H33N5O2 — CID 67113175

IUPACN-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C35H33N5O2/c1-38-18-14-24-22-26(2-12-33(24)38)35(42)37-28-5-10-31(11-6-28)40-21-15-25-23-29(7-13-34(25)40)36-27-3-8-30(9-4-27)39-19-16-32(41)17-20-39/h2-15,18,21-23,32,36,41H,16-17,19-20H2,1H3,(H,37,42)
InChIKeyNFGFUIFRECASOD-UHFFFAOYSA-N
MW555.68 g/mol
LogP7.08
Rot. Bonds6

About N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide

N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide (PubChem CID 67113175) has the molecular formula C35H33N5O2 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide
PubChem CID67113175
Molecular FormulaC35H33N5O2
Molecular Weight555.68 g/mol
Exact Mass555.26
IUPAC NameN-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C35H33N5O2/c1-38-18-14-24-22-26(2-12-33(24)38)35(42)37-28-5-10-31(11-6-28)40-21-15-25-23-29(7-13-34(25)40)36-27-3-8-30(9-4-27)39-19-16-32(41)17-20-39/h2-15,18,21-23,32,36,41H,16-17,19-20H2,1H3,(H,37,42)
InChIKeyNFGFUIFRECASOD-UHFFFAOYSA-N
XLogP7.08
TPSA74.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide?
The IUPAC name of N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide (CID 67113175) is N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide.
What is the SMILES notation for N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide?
The canonical SMILES for N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide is Cn1ccc2cc(C(=O)Nc3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21.
What is the InChIKey of N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide?
The InChIKey is NFGFUIFRECASOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O2/c1-38-18-14-24-22-26(2-12-33(24)38)35(42)37-28-5-10-31(11-6-28)40-21-15-25-23-29(7-13-34(25)40)36-27-3-8-30(9-4-27)39-19-16-32(41)17-20-39/h2-15,18,21-23,32,36,41H,16-17,19-20H2,1H3,(H,37,42).
What are the key properties of N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide?
N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 7.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]phenyl]-1-methylindole-5-carboxamide is sourced from PubChem (CID 67113175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).