6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide

C25H25N5O2 — CID 172658261

IUPAC6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C1CN(CCCNC(=O)c2ccc3cc(-c4ccc5[nH]ncc5c4)ccc3c2)CCN1
InChIInChI=1S/C25H25N5O2/c31-24-16-30(11-9-26-24)10-1-8-27-25(32)21-5-4-18-12-17(2-3-19(18)13-21)20-6-7-23-22(14-20)15-28-29-23/h2-7,12-15H,1,8-11,16H2,(H,26,31)(H,27,32)(H,28,29)
InChIKeyXWFIBRSXTNAUBJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.93
Rot. Bonds6

About 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide

6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide (PubChem CID 172658261) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide
PubChem CID172658261
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C1CN(CCCNC(=O)c2ccc3cc(-c4ccc5[nH]ncc5c4)ccc3c2)CCN1
InChIInChI=1S/C25H25N5O2/c31-24-16-30(11-9-26-24)10-1-8-27-25(32)21-5-4-18-12-17(2-3-19(18)13-21)20-6-7-23-22(14-20)15-28-29-23/h2-7,12-15H,1,8-11,16H2,(H,26,31)(H,27,32)(H,28,29)
InChIKeyXWFIBRSXTNAUBJ-UHFFFAOYSA-N
XLogP2.93
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 138042901
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 172658373
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
4-(1-benzylbenzimidazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide;2,2,2-trifluoroacetic acid
CID 90040330
3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The IUPAC name of 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide (CID 172658261) is 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide is O=C1CN(CCCNC(=O)c2ccc3cc(-c4ccc5[nH]ncc5c4)ccc3c2)CCN1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The InChIKey is XWFIBRSXTNAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-24-16-30(11-9-26-24)10-1-8-27-25(32)21-5-4-18-12-17(2-3-19(18)13-21)20-6-7-23-22(14-20)15-28-29-23/h2-7,12-15H,1,8-11,16H2,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide?
6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 172658261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).