5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide

C30H27Cl2N5O4 — CID 170971929

IUPAC5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3COCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C30H27Cl2N5O4/c1-30(2)14-41-15-36(30)29(39)26-22-5-4-16-7-25(40-3)23(17-6-18(28(33)38)13-34-12-17)11-24(16)27(22)37(35-26)21-9-19(31)8-20(32)10-21/h6-13H,4-5,14-15H2,1-3H3,(H2,33,38)
InChIKeyMKGPWVVPHBOALR-UHFFFAOYSA-N
MW592.48 g/mol
LogP5.32
Rot. Bonds5

About 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide

5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide (PubChem CID 170971929) has the molecular formula C30H27Cl2N5O4 and a molecular weight of 592.48 g/mol. Its IUPAC name is 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide
PubChem CID170971929
Molecular FormulaC30H27Cl2N5O4
Molecular Weight592.48 g/mol
Exact Mass591.14
IUPAC Name5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide
SMILESCOc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3COCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C30H27Cl2N5O4/c1-30(2)14-41-15-36(30)29(39)26-22-5-4-16-7-25(40-3)23(17-6-18(28(33)38)13-34-12-17)11-24(16)27(22)37(35-26)21-9-19(31)8-20(32)10-21/h6-13H,4-5,14-15H2,1-3H3,(H2,33,38)
InChIKeyMKGPWVVPHBOALR-UHFFFAOYSA-N
XLogP5.32
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide (CID 170971929) is 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide is COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3COCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide?
The InChIKey is MKGPWVVPHBOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N5O4/c1-30(2)14-41-15-36(30)29(39)26-22-5-4-16-7-25(40-3)23(17-6-18(28(33)38)13-34-12-17)11-24(16)27(22)37(35-26)21-9-19(31)8-20(32)10-21/h6-13H,4-5,14-15H2,1-3H3,(H2,33,38).
What are the key properties of 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide?
5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide has a molecular weight of 592.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichlorophenyl)-3-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-7-methoxy-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170971929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).