4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride

C20H28Cl6N6 — CID 170698655

IUPAC4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.c1cc(-c2nc(N3CCC4(CCNC4)CC3)c3ccncc3n2)ccn1
InChIInChI=1S/C20H22N6.6ClH/c1-7-21-8-2-15(1)18-24-17-13-22-9-3-16(17)19(25-18)26-11-5-20(6-12-26)4-10-23-14-20;;;;;;/h1-3,7-9,13,23H,4-6,10-12,14H2;6*1H
InChIKeyHOAIMEPUUJCXRY-UHFFFAOYSA-N
MW565.20 g/mol
LogP5.20
Rot. Bonds2

About 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride

4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride (PubChem CID 170698655) has the molecular formula C20H28Cl6N6 and a molecular weight of 565.20 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
PubChem CID170698655
Molecular FormulaC20H28Cl6N6
Molecular Weight565.20 g/mol
Exact Mass562.05
IUPAC Name4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.c1cc(-c2nc(N3CCC4(CCNC4)CC3)c3ccncc3n2)ccn1
InChIInChI=1S/C20H22N6.6ClH/c1-7-21-8-2-15(1)18-24-17-13-22-9-3-16(17)19(25-18)26-11-5-20(6-12-26)4-10-23-14-20;;;;;;/h1-3,7-9,13,23H,4-6,10-12,14H2;6*1H
InChIKeyHOAIMEPUUJCXRY-UHFFFAOYSA-N
XLogP5.20
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.20
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole
CID 167233261
4-(2,8-diazaspiro[4.5]decan-8-yl)-7-oxido-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-7-ium
CID 170698623
N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
CID 167232970
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
CID 167233113
2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
CID 167233174
1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
CID 167233200
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
CID 175988940
N-methylsulfanyl-1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanamine
CID 167233321
4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol
CID 167233262
[1-hydroxy-2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl] formate
CID 170982598
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride (CID 170698655) is 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.c1cc(-c2nc(N3CCC4(CCNC4)CC3)c3ccncc3n2)ccn1.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride?
The InChIKey is HOAIMEPUUJCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6.6ClH/c1-7-21-8-2-15(1)18-24-17-13-22-9-3-16(17)19(25-18)26-11-5-20(6-12-26)4-10-23-14-20;;;;;;/h1-3,7-9,13,23H,4-6,10-12,14H2;6*1H.
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride?
4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride has a molecular weight of 565.20 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride is sourced from PubChem (CID 170698655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).