bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane

C44H67N9 — CID 157115492

IUPACbis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane
SMILESCC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCN3)C2)nc1
InChIInChI=1S/2C15H23N3.C14H21N3/c2*1-12(2)13-4-5-14(16-10-13)18-9-7-15(11-18)6-3-8-17-15;1-11(2)12-3-4-13(15-9-12)17-8-6-14(10-17)5-7-16-14/h2*4-5,10,12,17H,3,6-9,11H2,1-2H3;3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyAHISCGMHTIDGHF-UHFFFAOYSA-N
MW722.08 g/mol
LogP7.22
Rot. Bonds6

About bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane

bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane (PubChem CID 157115492) has the molecular formula C44H67N9 and a molecular weight of 722.08 g/mol. Its IUPAC name is bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Namebis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane
PubChem CID157115492
Molecular FormulaC44H67N9
Molecular Weight722.08 g/mol
Exact Mass721.55
IUPAC Namebis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane
SMILESCC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCN3)C2)nc1
InChIInChI=1S/2C15H23N3.C14H21N3/c2*1-12(2)13-4-5-14(16-10-13)18-9-7-15(11-18)6-3-8-17-15;1-11(2)12-3-4-13(15-9-12)17-8-6-14(10-17)5-7-16-14/h2*4-5,10,12,17H,3,6-9,11H2,1-2H3;3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyAHISCGMHTIDGHF-UHFFFAOYSA-N
XLogP7.22
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.08
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

7-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 11715647
3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
CID 20811492
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 11601092
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 22291216
N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
CID 141392242
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
5-(5-propan-2-yl-2-pyridinyl)-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 155198546

Frequently Asked Questions

What is the IUPAC name of bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane?
The IUPAC name of bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane (CID 157115492) is bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane is CC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCCN3)C2)nc1.CC(C)c1ccc(N2CCC3(CCN3)C2)nc1.
What is the InChIKey of bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane?
The InChIKey is AHISCGMHTIDGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23N3.C14H21N3/c2*1-12(2)13-4-5-14(16-10-13)18-9-7-15(11-18)6-3-8-17-15;1-11(2)12-3-4-13(15-9-12)17-8-6-14(10-17)5-7-16-14/h2*4-5,10,12,17H,3,6-9,11H2,1-2H3;3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane?
bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane has a molecular weight of 722.08 g/mol, XLogP of 7.22, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 157115492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).