5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

C28H30N6 — CID 159466009

IUPAC5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
SMILESCCc1ccc2ncnc(N3CCC4(CCN(Cc5ccc6[nH]c(C#N)cc6c5C)C4)C3)c2c1
InChIInChI=1S/C28H30N6/c1-3-20-4-6-25-24(12-20)27(31-18-30-25)34-11-9-28(17-34)8-10-33(16-28)15-21-5-7-26-23(19(21)2)13-22(14-29)32-26/h4-7,12-13,18,32H,3,8-11,15-17H2,1-2H3
InChIKeyLVENZSUYCUFPST-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.96
Rot. Bonds4

About 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile (PubChem CID 159466009) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
PubChem CID159466009
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
SMILESCCc1ccc2ncnc(N3CCC4(CCN(Cc5ccc6[nH]c(C#N)cc6c5C)C4)C3)c2c1
InChIInChI=1S/C28H30N6/c1-3-20-4-6-25-24(12-20)27(31-18-30-25)34-11-9-28(17-34)8-10-33(16-28)15-21-5-7-26-23(19(21)2)13-22(14-29)32-26/h4-7,12-13,18,32H,3,8-11,15-17H2,1-2H3
InChIKeyLVENZSUYCUFPST-UHFFFAOYSA-N
XLogP4.96
TPSA71.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;hydrochloride
CID 175892790
4-[2-(2-methylbutyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-1H-indole-2-carbonitrile;1-[[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3H-indene-5-carbonitrile
CID 165002628
1-[2-(4-ethylsulfinylpiperazin-1-yl)propyl]-4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrile
CID 176734128
4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indole-2-carbonitrile
CID 138497691
2-[3-fluoro-4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]phenyl]acetonitrile
CID 134241482
6-ethyl-4-(4-methylpiperazin-1-yl)quinazoline
CID 21002576
4-[7-(1H-indol-5-ylmethyl)-2,7-diazaspiro[3.5]nonan-2-yl]-6-(2,2,2-trifluoroethyl)quinazoline
CID 168924986
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethylquinazoline
CID 21002637
4-[7-[(4-nitrophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-6-(2,2,2-trifluoroethyl)quinazoline
CID 168925017
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
6-[[2-[6-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carboxamide
CID 150006390
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
CID 21002638

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The IUPAC name of 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile (CID 159466009) is 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The canonical SMILES for 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile is CCc1ccc2ncnc(N3CCC4(CCN(Cc5ccc6[nH]c(C#N)cc6c5C)C4)C3)c2c1.
What is the InChIKey of 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
The InChIKey is LVENZSUYCUFPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c1-3-20-4-6-25-24(12-20)27(31-18-30-25)34-11-9-28(17-34)8-10-33(16-28)15-21-5-7-26-23(19(21)2)13-22(14-29)32-26/h4-7,12-13,18,32H,3,8-11,15-17H2,1-2H3.
What are the key properties of 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile?
5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile has a molecular weight of 450.59 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 159466009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).