2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C27H27Cl2N9O — CID 122473005

IUPAC2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc2c3c(nn2c1)CCC(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3
InChIInChI=1S/C27H27Cl2N9O/c1-15(2)36-13-24(32-35-36)27(8-7-22-19(11-27)23-6-5-16(3)12-37(23)34-22)31-26(39)25-20(28)9-18(10-21(25)29)38-14-30-17(4)33-38/h5-6,9-10,12-15H,7-8,11H2,1-4H3,(H,31,39)
InChIKeyYEVXARZSSLMMSC-UHFFFAOYSA-N
MW564.48 g/mol
LogP4.83
Rot. Bonds5

About 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 122473005) has the molecular formula C27H27Cl2N9O and a molecular weight of 564.48 g/mol. Its IUPAC name is 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID122473005
Molecular FormulaC27H27Cl2N9O
Molecular Weight564.48 g/mol
Exact Mass563.17
IUPAC Name2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc2c3c(nn2c1)CCC(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3
InChIInChI=1S/C27H27Cl2N9O/c1-15(2)36-13-24(32-35-36)27(8-7-22-19(11-27)23-6-5-16(3)12-37(23)34-22)31-26(39)25-20(28)9-18(10-21(25)29)38-14-30-17(4)33-38/h5-6,9-10,12-15H,7-8,11H2,1-4H3,(H,31,39)
InChIKeyYEVXARZSSLMMSC-UHFFFAOYSA-N
XLogP4.83
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 122473005) is 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ccc2c3c(nn2c1)CCC(NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3.
What is the InChIKey of 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is YEVXARZSSLMMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N9O/c1-15(2)36-13-24(32-35-36)27(8-7-22-19(11-27)23-6-5-16(3)12-37(23)34-22)31-26(39)25-20(28)9-18(10-21(25)29)38-14-30-17(4)33-38/h5-6,9-10,12-15H,7-8,11H2,1-4H3,(H,31,39).
What are the key properties of 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 564.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[8-methyl-2-(1-propan-2-yltriazol-4-yl)-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 122473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).