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

C28H27Cl2N9O — CID 122473178

IUPAC2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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(C2(C)CC2)nn1)C3
InChIInChI=1S/C28H27Cl2N9O/c1-16-4-5-23-19-12-28(7-6-22(19)35-37(23)13-16,24-14-39(36-33-24)27(3)8-9-27)32-26(40)25-20(29)10-18(11-21(25)30)38-15-31-17(2)34-38/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,32,40)
InChIKeyHXXDVHHKBMGCID-UHFFFAOYSA-N
MW576.49 g/mol
LogP4.75
Rot. Bonds5

About 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-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 122473178) has the molecular formula C28H27Cl2N9O and a molecular weight of 576.49 g/mol. Its IUPAC name is 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-4-yl]-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID122473178
Molecular FormulaC28H27Cl2N9O
Molecular Weight576.49 g/mol
Exact Mass575.17
IUPAC Name2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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(C2(C)CC2)nn1)C3
InChIInChI=1S/C28H27Cl2N9O/c1-16-4-5-23-19-12-28(7-6-22(19)35-37(23)13-16,24-14-39(36-33-24)27(3)8-9-27)32-26(40)25-20(29)10-18(11-21(25)30)38-15-31-17(2)34-38/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,32,40)
InChIKeyHXXDVHHKBMGCID-UHFFFAOYSA-N
XLogP4.75
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-4-yl]-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 122473178) is 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-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(C2(C)CC2)nn1)C3.
What is the InChIKey of 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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 HXXDVHHKBMGCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N9O/c1-16-4-5-23-19-12-28(7-6-22(19)35-37(23)13-16,24-14-39(36-33-24)27(3)8-9-27)32-26(40)25-20(29)10-18(11-21(25)30)38-15-31-17(2)34-38/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,32,40).
What are the key properties of 2,6-dichloro-N-[8-methyl-2-[1-(1-methylcyclopropyl)triazol-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-(1-methylcyclopropyl)triazol-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 576.49 g/mol, XLogP of 4.75, 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-(1-methylcyclopropyl)triazol-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 122473178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).