1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

C27H26FN5O2 — CID 122604881

IUPAC1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@]3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C27H26FN5O2/c28-17-7-9-18(10-8-17)33-14-4-12-27(26(33)35)11-3-13-32(16-27)25-22-19-5-1-2-6-21(19)31-23(22)20(15-30-25)24(29)34/h1-2,5-10,15,31H,3-4,11-14,16H2,(H2,29,34)/t27-/m1/s1
InChIKeyGBVWZBOMWBOMRS-HHHXNRCGSA-N
MW471.54 g/mol
LogP4.37
Rot. Bonds3

About 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122604881) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID122604881
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@@]3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccccc12
InChIInChI=1S/C27H26FN5O2/c28-17-7-9-18(10-8-17)33-14-4-12-27(26(33)35)11-3-13-32(16-27)25-22-19-5-1-2-6-21(19)31-23(22)20(15-30-25)24(29)34/h1-2,5-10,15,31H,3-4,11-14,16H2,(H2,29,34)/t27-/m1/s1
InChIKeyGBVWZBOMWBOMRS-HHHXNRCGSA-N
XLogP4.37
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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Related Compounds

8-fluoro-1-[(6S)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134520750
8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608568
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
4-carbamoyl-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 122608563
1-[3-formyl-3-[1-hydroxy-2-(methylamino)ethyl]piperidin-1-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 145168143
1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-7-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608562
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604763
7-(6-methoxy-3-pyridinyl)-1-[(5R)-2-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608604
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608572
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608574
8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608581
1-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 145166461

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (CID 122604881) is 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N2CCC[C@@]3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is GBVWZBOMWBOMRS-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-17-7-9-18(10-8-17)33-14-4-12-27(26(33)35)11-3-13-32(16-27)25-22-19-5-1-2-6-21(19)31-23(22)20(15-30-25)24(29)34/h1-2,5-10,15,31H,3-4,11-14,16H2,(H2,29,34)/t27-/m1/s1.
What are the key properties of 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122604881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).