9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide

C25H23FN4O5S — CID 90383689

IUPAC9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CC(F)C3)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C25H23FN4O5S/c1-12-22(13(2)35-28-12)15-7-19-18-6-3-14(25(32)29-10-16(26)11-29)9-21(18)30(36(33,34)17-4-5-17)23(19)20(8-15)24(27)31/h3,6-9,16-17H,4-5,10-11H2,1-2H3,(H2,27,31)
InChIKeyFPPMHSHLUYXZBJ-UHFFFAOYSA-N
MW510.55 g/mol
LogP3.30
Rot. Bonds5

About 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide

9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide (PubChem CID 90383689) has the molecular formula C25H23FN4O5S and a molecular weight of 510.55 g/mol. Its IUPAC name is 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide
PubChem CID90383689
Molecular FormulaC25H23FN4O5S
Molecular Weight510.55 g/mol
Exact Mass510.14
IUPAC Name9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CC(F)C3)cc1n2S(=O)(=O)C1CC1
InChIInChI=1S/C25H23FN4O5S/c1-12-22(13(2)35-28-12)15-7-19-18-6-3-14(25(32)29-10-16(26)11-29)9-21(18)30(36(33,34)17-4-5-17)23(19)20(8-15)24(27)31/h3,6-9,16-17H,4-5,10-11H2,1-2H3,(H2,27,31)
InChIKeyFPPMHSHLUYXZBJ-UHFFFAOYSA-N
XLogP3.30
TPSA128.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide?
The IUPAC name of 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide (CID 90383689) is 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide.
What is the SMILES notation for 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide?
The canonical SMILES for 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CC(F)C3)cc1n2S(=O)(=O)C1CC1.
What is the InChIKey of 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide?
The InChIKey is FPPMHSHLUYXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5S/c1-12-22(13(2)35-28-12)15-7-19-18-6-3-14(25(32)29-10-16(26)11-29)9-21(18)30(36(33,34)17-4-5-17)23(19)20(8-15)24(27)31/h3,6-9,16-17H,4-5,10-11H2,1-2H3,(H2,27,31).
What are the key properties of 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide?
9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3-fluoroazetidine-1-carbonyl)carbazole-1-carboxamide is sourced from PubChem (CID 90383689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).