N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide

C34H33N5O3 — CID 172890391

IUPACN-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2cccc(-c3cccc4c3cnn4C3CCCCO3)c2)CC1
InChIInChI=1S/C34H33N5O3/c40-33(37-16-18-38(19-17-37)34(41)36-28-15-14-24-7-1-2-8-25(24)22-28)27-10-5-9-26(21-27)29-11-6-12-31-30(29)23-35-39(31)32-13-3-4-20-42-32/h1-2,5-12,14-15,21-23,32H,3-4,13,16-20H2,(H,36,41)
InChIKeyFRDHXQLEFARWFO-UHFFFAOYSA-N
MW559.67 g/mol
LogP6.55
Rot. Bonds4

About N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide

N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide (PubChem CID 172890391) has the molecular formula C34H33N5O3 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide
PubChem CID172890391
Molecular FormulaC34H33N5O3
Molecular Weight559.67 g/mol
Exact Mass559.26
IUPAC NameN-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2cccc(-c3cccc4c3cnn4C3CCCCO3)c2)CC1
InChIInChI=1S/C34H33N5O3/c40-33(37-16-18-38(19-17-37)34(41)36-28-15-14-24-7-1-2-8-25(24)22-28)27-10-5-9-26(21-27)29-11-6-12-31-30(29)23-35-39(31)32-13-3-4-20-42-32/h1-2,5-12,14-15,21-23,32H,3-4,13,16-20H2,(H,36,41)
InChIKeyFRDHXQLEFARWFO-UHFFFAOYSA-N
XLogP6.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871756
1-[(2S)-oxan-2-yl]indazole
CID 124562379
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 139369451
4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
(2S)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990013
(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990012
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
CID 155167792

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide (CID 172890391) is N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2cccc(-c3cccc4c3cnn4C3CCCCO3)c2)CC1.
What is the InChIKey of N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide?
The InChIKey is FRDHXQLEFARWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O3/c40-33(37-16-18-38(19-17-37)34(41)36-28-15-14-24-7-1-2-8-25(24)22-28)27-10-5-9-26(21-27)29-11-6-12-31-30(29)23-35-39(31)32-13-3-4-20-42-32/h1-2,5-12,14-15,21-23,32H,3-4,13,16-20H2,(H,36,41).
What are the key properties of N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide?
N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4-[3-[1-(oxan-2-yl)indazol-4-yl]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 172890391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).