N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide

C28H32ClN5O — CID 11191030

IUPACN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1n[nH]c2ccccc12
InChIInChI=1S/C28H32ClN5O/c29-19-14-15-22-25(18-19)32-23-12-6-4-10-20(23)26(22)30-16-8-2-1-3-9-17-31-28(35)27-21-11-5-7-13-24(21)33-34-27/h5,7,11,13-15,18H,1-4,6,8-10,12,16-17H2,(H,30,32)(H,31,35)(H,33,34)
InChIKeyXYRVXZVCEIJZMQ-UHFFFAOYSA-N
MW490.05 g/mol
LogP6.44
Rot. Bonds10

About N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide (PubChem CID 11191030) has the molecular formula C28H32ClN5O and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide
PubChem CID11191030
Molecular FormulaC28H32ClN5O
Molecular Weight490.05 g/mol
Exact Mass489.23
IUPAC NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1n[nH]c2ccccc12
InChIInChI=1S/C28H32ClN5O/c29-19-14-15-22-25(18-19)32-23-12-6-4-10-20(23)26(22)30-16-8-2-1-3-9-17-31-28(35)27-21-11-5-7-13-24(21)33-34-27/h5,7,11,13-15,18H,1-4,6,8-10,12,16-17H2,(H,30,32)(H,31,35)(H,33,34)
InChIKeyXYRVXZVCEIJZMQ-UHFFFAOYSA-N
XLogP6.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 56.44
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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Frequently Asked Questions

What is the IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide (CID 11191030) is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide is O=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1n[nH]c2ccccc12.
What is the InChIKey of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide?
The InChIKey is XYRVXZVCEIJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O/c29-19-14-15-22-25(18-19)32-23-12-6-4-10-20(23)26(22)30-16-8-2-1-3-9-17-31-28(35)27-21-11-5-7-13-24(21)33-34-27/h5,7,11,13-15,18H,1-4,6,8-10,12,16-17H2,(H,30,32)(H,31,35)(H,33,34).
What are the key properties of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide?
N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide has a molecular weight of 490.05 g/mol, XLogP of 6.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 11191030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).