N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide

C34H32N6O2 — CID 44540409

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C34H32N6O2/c41-34(38-32-17-24(18-33-29(32)19-36-39-33)27-11-5-12-30-28(27)14-15-35-30)31-13-4-9-25(37-31)20-40-16-6-10-26(21-40)42-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,17-19,26,35H,6,10,16,20-22H2,(H,36,39)(H,38,41)
InChIKeySACVBJJHDRBMKN-UHFFFAOYSA-N
MW556.67 g/mol
LogP6.54
Rot. Bonds8

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 44540409) has the molecular formula C34H32N6O2 and a molecular weight of 556.67 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide
PubChem CID44540409
Molecular FormulaC34H32N6O2
Molecular Weight556.67 g/mol
Exact Mass556.26
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C34H32N6O2/c41-34(38-32-17-24(18-33-29(32)19-36-39-33)27-11-5-12-30-28(27)14-15-35-30)31-13-4-9-25(37-31)20-40-16-6-10-26(21-40)42-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,17-19,26,35H,6,10,16,20-22H2,(H,36,39)(H,38,41)
InChIKeySACVBJJHDRBMKN-UHFFFAOYSA-N
XLogP6.54
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide (CID 44540409) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCCC(OCc3ccccc3)C2)n1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is SACVBJJHDRBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O2/c41-34(38-32-17-24(18-33-29(32)19-36-39-33)27-11-5-12-30-28(27)14-15-35-30)31-13-4-9-25(37-31)20-40-16-6-10-26(21-40)42-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,17-19,26,35H,6,10,16,20-22H2,(H,36,39)(H,38,41).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 556.67 g/mol, XLogP of 6.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[(3-phenylmethoxypiperidin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 44540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).