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

C28H36N6O2 — CID 122608572

IUPAC1-(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
SMILESCC(C)N1CCC(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCCC5(CCNC5=O)C4)c23)CC1
InChIInChI=1S/C28H36N6O2/c1-17(2)33-12-6-18(7-13-33)19-4-5-20-22(14-19)32-24-21(25(29)35)15-31-26(23(20)24)34-11-3-8-28(16-34)9-10-30-27(28)36/h4-5,14-15,17-18,32H,3,6-13,16H2,1-2H3,(H2,29,35)(H,30,36)
InChIKeyPXCDVAXHUFBGJV-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.51
Rot. Bonds4

About 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

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 (PubChem CID 122608572) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID122608572
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name1-(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
SMILESCC(C)N1CCC(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCCC5(CCNC5=O)C4)c23)CC1
InChIInChI=1S/C28H36N6O2/c1-17(2)33-12-6-18(7-13-33)19-4-5-20-22(14-19)32-24-21(25(29)35)15-31-26(23(20)24)34-11-3-8-28(16-34)9-10-30-27(28)36/h4-5,14-15,17-18,32H,3,6-13,16H2,1-2H3,(H2,29,35)(H,30,36)
InChIKeyPXCDVAXHUFBGJV-UHFFFAOYSA-N
XLogP3.51
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(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
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
CID 134520748
8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146583110
1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134534066
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCCC5(CCNC5=O)C4)c23)CC1.
What is the InChIKey of 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?
The InChIKey is PXCDVAXHUFBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-17(2)33-12-6-18(7-13-33)19-4-5-20-22(14-19)32-24-21(25(29)35)15-31-26(23(20)24)34-11-3-8-28(16-34)9-10-30-27(28)36/h4-5,14-15,17-18,32H,3,6-13,16H2,1-2H3,(H2,29,35)(H,30,36).
What are the key properties of 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?
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 has a molecular weight of 488.64 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).