7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile

C22H27N3 — CID 170975589

IUPAC7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
SMILESCc1cc(C2CC2)c(CN2CCC3(CC2)CC(C#N)C3)c2cc[nH]c12
InChIInChI=1S/C22H27N3/c1-15-10-19(17-2-3-17)20(18-4-7-24-21(15)18)14-25-8-5-22(6-9-25)11-16(12-22)13-23/h4,7,10,16-17,24H,2-3,5-6,8-9,11-12,14H2,1H3
InChIKeyJDSNYDBWOLUTSV-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.87
Rot. Bonds3

About 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile

7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile (PubChem CID 170975589) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
PubChem CID170975589
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
SMILESCc1cc(C2CC2)c(CN2CCC3(CC2)CC(C#N)C3)c2cc[nH]c12
InChIInChI=1S/C22H27N3/c1-15-10-19(17-2-3-17)20(18-4-7-24-21(15)18)14-25-8-5-22(6-9-25)11-16(12-22)13-23/h4,7,10,16-17,24H,2-3,5-6,8-9,11-12,14H2,1H3
InChIKeyJDSNYDBWOLUTSV-UHFFFAOYSA-N
XLogP4.87
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
CID 174346951
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
4-[(6S)-2-cyano-7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonan-6-yl]-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 170975620
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
2-[[4-[(6S)-2-cyano-7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonan-6-yl]benzoyl]amino]-3-phenylpropanoic acid
CID 170975563
dipotassium;3-[4-[(6R)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]phenyl]oxetan-3-ol;carbonate
CID 175928395
4-[(6S)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]-N'-diazenylbenzenecarboximidamide
CID 168994210
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile (CID 170975589) is 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile is Cc1cc(C2CC2)c(CN2CCC3(CC2)CC(C#N)C3)c2cc[nH]c12.
What is the InChIKey of 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile?
The InChIKey is JDSNYDBWOLUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-15-10-19(17-2-3-17)20(18-4-7-24-21(15)18)14-25-8-5-22(6-9-25)11-16(12-22)13-23/h4,7,10,16-17,24H,2-3,5-6,8-9,11-12,14H2,1H3.
What are the key properties of 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile?
7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile has a molecular weight of 333.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 170975589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).