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

C27H25F2N5O2 — CID 122608568

IUPAC8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C27H25F2N5O2/c28-16-3-6-18(7-4-16)34-12-2-10-27(26(34)36)9-1-11-33(15-27)25-22-19-13-17(29)5-8-21(19)32-23(22)20(14-31-25)24(30)35/h3-8,13-14,32H,1-2,9-12,15H2,(H2,30,35)
InChIKeyAFURUFOCBOSFSA-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.51
Rot. Bonds3

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

8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122608568) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID122608568
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C27H25F2N5O2/c28-16-3-6-18(7-4-16)34-12-2-10-27(26(34)36)9-1-11-33(15-27)25-22-19-13-17(29)5-8-21(19)32-23(22)20(14-31-25)24(30)35/h3-8,13-14,32H,1-2,9-12,15H2,(H2,30,35)
InChIKeyAFURUFOCBOSFSA-UHFFFAOYSA-N
XLogP4.51
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5288607
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CID 453217
CID 453217
CID 453391
CID 453391
CID 462952
CID 462952
CID 466848
CID 466848
CID 135566923
CID 135566923
CID 466843
CID 466843
CID 6539897
CID 6539897
CID 6539898
CID 6539898
CID 16719971
CID 16719971

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[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 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) is 8-fluoro-1-[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 8-fluoro-1-[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 8-fluoro-1-[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(N2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is AFURUFOCBOSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c28-16-3-6-18(7-4-16)34-12-2-10-27(26(34)36)9-1-11-33(15-27)25-22-19-13-17(29)5-8-21(19)32-23(22)20(14-31-25)24(30)35/h3-8,13-14,32H,1-2,9-12,15H2,(H2,30,35).
What are the key properties of 8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-[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 489.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[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 122608568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).