4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]

C21H23N7 — CID 16653774

IUPAC4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]
SMILESc1ccc(CN2CN=C3NC4(CCCC4)n4c(nc5ccccc54)N3C2)nc1
InChIInChI=1S/C21H23N7/c1-2-9-18-17(8-1)24-20-27-15-26(13-16-7-3-6-12-22-16)14-23-19(27)25-21(28(18)20)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,23,25)
InChIKeySVAYOSWCSZMEGO-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.85
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]

4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] (PubChem CID 16653774) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane].

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]
PubChem CID16653774
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]
SMILESc1ccc(CN2CN=C3NC4(CCCC4)n4c(nc5ccccc54)N3C2)nc1
InChIInChI=1S/C21H23N7/c1-2-9-18-17(8-1)24-20-27-15-26(13-16-7-3-6-12-22-16)14-23-19(27)25-21(28(18)20)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,23,25)
InChIKeySVAYOSWCSZMEGO-UHFFFAOYSA-N
XLogP2.85
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] with MolForge

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Launch Full Analysis

Related Compounds

(9R)-9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 28629212
N,N-dimethyl-4-[(9S)-4-(pyridin-2-ylmethyl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaen-9-yl]aniline
CID 28629197
(9R)-4-(pyridin-3-ylmethyl)-9-thiophen-2-yl-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 28629800
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane
CID 12969619
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
9-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(furan-2-ylmethyl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 66501962
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]?
The IUPAC name of 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] (CID 16653774) is 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane].
What is the SMILES notation for 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]?
The canonical SMILES for 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] is c1ccc(CN2CN=C3NC4(CCCC4)n4c(nc5ccccc54)N3C2)nc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]?
The InChIKey is SVAYOSWCSZMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-9-18-17(8-1)24-20-27-15-26(13-16-7-3-6-12-22-16)14-23-19(27)25-21(28(18)20)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,23,25).
What are the key properties of 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane]?
4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] has a molecular weight of 373.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)spiro[2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene-9,1'-cyclopentane] is sourced from PubChem (CID 16653774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).