2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide

C25H20Cl2F3N5O2 — CID 145141312

IUPAC2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)c(C(=O)C(F)(F)F)c1n2C[C@](C)(NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)CC1
InChIInChI=1S/C25H20Cl2F3N5O2/c1-13-3-4-18-15(7-13)20(22(36)25(28,29)30)19-5-6-24(2,10-35(18)19)33-23(37)21-16(26)8-14(9-17(21)27)34-11-31-32-12-34/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,33,37)/t24-/m1/s1
InChIKeyVRIGITLZWVYCBD-XMMPIXPASA-N
MW550.37 g/mol
LogP5.72
Rot. Bonds4

About 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide

2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 145141312) has the molecular formula C25H20Cl2F3N5O2 and a molecular weight of 550.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID145141312
Molecular FormulaC25H20Cl2F3N5O2
Molecular Weight550.37 g/mol
Exact Mass549.09
IUPAC Name2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)c(C(=O)C(F)(F)F)c1n2C[C@](C)(NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)CC1
InChIInChI=1S/C25H20Cl2F3N5O2/c1-13-3-4-18-15(7-13)20(22(36)25(28,29)30)19-5-6-24(2,10-35(18)19)33-23(37)21-16(26)8-14(9-17(21)27)34-11-31-32-12-34/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,33,37)/t24-/m1/s1
InChIKeyVRIGITLZWVYCBD-XMMPIXPASA-N
XLogP5.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.37
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide (CID 145141312) is 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide is Cc1ccc2c(c1)c(C(=O)C(F)(F)F)c1n2C[C@](C)(NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is VRIGITLZWVYCBD-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20Cl2F3N5O2/c1-13-3-4-18-15(7-13)20(22(36)25(28,29)30)19-5-6-24(2,10-35(18)19)33-23(37)21-16(26)8-14(9-17(21)27)34-11-31-32-12-34/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,33,37)/t24-/m1/s1.
What are the key properties of 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide?
2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 550.37 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(7R)-2,7-dimethyl-10-(2,2,2-trifluoroacetyl)-8,9-dihydro-6H-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 145141312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).