6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C27H27N9 — CID 169133067

IUPAC6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(N4CCNC5(CC5)C4)nc23)ccc1Cc1ccn2ncnc2c1
InChIInChI=1S/C27H27N9/c1-18-12-21(3-2-20(18)13-19-6-10-36-24(14-19)29-17-32-36)33-26-25-22(28-16-30-26)4-5-23(34-25)35-11-9-31-27(15-35)7-8-27/h2-6,10,12,14,16-17,31H,7-9,11,13,15H2,1H3,(H,28,30,33)
InChIKeyXVRUYNHWHXUKSS-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.65
Rot. Bonds5

About 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 169133067) has the molecular formula C27H27N9 and a molecular weight of 477.58 g/mol. Its IUPAC name is 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID169133067
Molecular FormulaC27H27N9
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(N4CCNC5(CC5)C4)nc23)ccc1Cc1ccn2ncnc2c1
InChIInChI=1S/C27H27N9/c1-18-12-21(3-2-20(18)13-19-6-10-36-24(14-19)29-17-32-36)33-26-25-22(28-16-30-26)4-5-23(34-25)35-11-9-31-27(15-35)7-8-27/h2-6,10,12,14,16-17,31H,7-9,11,13,15H2,1H3,(H,28,30,33)
InChIKeyXVRUYNHWHXUKSS-UHFFFAOYSA-N
XLogP3.65
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133458
1-[7-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]-4,7-diazaspiro[2.5]octan-4-yl]prop-2-en-1-one
CID 169133396
6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133232
tert-butyl (2R)-2-methyl-4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 169133141
1-[(3S)-3-methyl-4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]piperazin-1-yl]but-2-yn-1-one
CID 177130053
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166544037
(3E)-3-[2-(dimethylamino)ethylidene]-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]pyrrolidin-2-one
CID 164562029
tert-butyl 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 169133189
4-N-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]quinazoline-4,6-diamine
CID 162431669
6-[(3R,5R)-3,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 175939139
6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 170108022
(3E,4R)-3-[2-(dimethylamino)ethylidene]-4-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]pyrrolidin-2-one
CID 164561833

Frequently Asked Questions

What is the IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 169133067) is 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3ccc(N4CCNC5(CC5)C4)nc23)ccc1Cc1ccn2ncnc2c1.
What is the InChIKey of 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is XVRUYNHWHXUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9/c1-18-12-21(3-2-20(18)13-19-6-10-36-24(14-19)29-17-32-36)33-26-25-22(28-16-30-26)4-5-23(34-25)35-11-9-31-27(15-35)7-8-27/h2-6,10,12,14,16-17,31H,7-9,11,13,15H2,1H3,(H,28,30,33).
What are the key properties of 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 477.58 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 169133067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).