7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide

C26H28N6O3 — CID 122604862

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide
SMILESCc1noc(C)c1-c1ccc2c3cncc(C(N)=O)c3n(N3CCC[C@@]4(CCN(C)C4=O)C3)c2c1
InChIInChI=1S/C26H28N6O3/c1-15-22(16(2)35-29-15)17-5-6-18-19-12-28-13-20(24(27)33)23(19)32(21(18)11-17)31-9-4-7-26(14-31)8-10-30(3)25(26)34/h5-6,11-13H,4,7-10,14H2,1-3H3,(H2,27,33)/t26-/m1/s1
InChIKeyCDSOKFSVZZIRAA-AREMUKBSSA-N
MW472.55 g/mol
LogP3.14
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122604862) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide
PubChem CID122604862
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide
SMILESCc1noc(C)c1-c1ccc2c3cncc(C(N)=O)c3n(N3CCC[C@@]4(CCN(C)C4=O)C3)c2c1
InChIInChI=1S/C26H28N6O3/c1-15-22(16(2)35-29-15)17-5-6-18-19-12-28-13-20(24(27)33)23(19)32(21(18)11-17)31-9-4-7-26(14-31)8-10-30(3)25(26)34/h5-6,11-13H,4,7-10,14H2,1-3H3,(H2,27,33)/t26-/m1/s1
InChIKeyCDSOKFSVZZIRAA-AREMUKBSSA-N
XLogP3.14
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide (CID 122604862) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide is Cc1noc(C)c1-c1ccc2c3cncc(C(N)=O)c3n(N3CCC[C@@]4(CCN(C)C4=O)C3)c2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is CDSOKFSVZZIRAA-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-15-22(16(2)35-29-15)17-5-6-18-19-12-28-13-20(24(27)33)23(19)32(21(18)11-17)31-9-4-7-26(14-31)8-10-30(3)25(26)34/h5-6,11-13H,4,7-10,14H2,1-3H3,(H2,27,33)/t26-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122604862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).