9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide

C27H28N4O3 — CID 90375175

IUPAC9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(N3CCCCC3=O)cc1n2CC1CC1
InChIInChI=1S/C27H28N4O3/c1-15-25(16(2)34-29-15)18-11-21-20-9-8-19(30-10-4-3-5-24(30)32)13-23(20)31(14-17-6-7-17)26(21)22(12-18)27(28)33/h8-9,11-13,17H,3-7,10,14H2,1-2H3,(H2,28,33)
InChIKeySFRAPIGORYXPIM-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.09
Rot. Bonds5

About 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide (PubChem CID 90375175) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide
PubChem CID90375175
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(N3CCCCC3=O)cc1n2CC1CC1
InChIInChI=1S/C27H28N4O3/c1-15-25(16(2)34-29-15)18-11-21-20-9-8-19(30-10-4-3-5-24(30)32)13-23(20)31(14-17-6-7-17)26(21)22(12-18)27(28)33/h8-9,11-13,17H,3-7,10,14H2,1-2H3,(H2,28,33)
InChIKeySFRAPIGORYXPIM-UHFFFAOYSA-N
XLogP5.09
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide (CID 90375175) is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(N3CCCCC3=O)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide?
The InChIKey is SFRAPIGORYXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-15-25(16(2)34-29-15)18-11-21-20-9-8-19(30-10-4-3-5-24(30)32)13-23(20)31(14-17-6-7-17)26(21)22(12-18)27(28)33/h8-9,11-13,17H,3-7,10,14H2,1-2H3,(H2,28,33).
What are the key properties of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide?
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-oxopiperidin-1-yl)carbazole-1-carboxamide is sourced from PubChem (CID 90375175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).