6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

C24H21ClN8O — CID 167662861

IUPAC6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc(Nc2ncnc3ccc(C4=CCNC4)nc23)ccc1Oc1ccn2ncnc2c1.Cl
InChIInChI=1S/C24H20N8O.ClH/c1-15-10-17(2-5-21(15)33-18-7-9-32-22(11-18)27-14-29-32)30-24-23-20(26-13-28-24)4-3-19(31-23)16-6-8-25-12-16;/h2-7,9-11,13-14,25H,8,12H2,1H3,(H,26,28,30);1H
InChIKeyMZEFBWACPZCEGE-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.32
Rot. Bonds5

About 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 167662861) has the molecular formula C24H21ClN8O and a molecular weight of 472.94 g/mol. Its IUPAC name is 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID167662861
Molecular FormulaC24H21ClN8O
Molecular Weight472.94 g/mol
Exact Mass472.15
IUPAC Name6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc(Nc2ncnc3ccc(C4=CCNC4)nc23)ccc1Oc1ccn2ncnc2c1.Cl
InChIInChI=1S/C24H20N8O.ClH/c1-15-10-17(2-5-21(15)33-18-7-9-32-22(11-18)27-14-29-32)30-24-23-20(26-13-28-24)4-3-19(31-23)16-6-8-25-12-16;/h2-7,9-11,13-14,25H,8,12H2,1H3,(H,26,28,30);1H
InChIKeyMZEFBWACPZCEGE-UHFFFAOYSA-N
XLogP4.32
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
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
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 166927873
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
2-[(2R)-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]azetidin-2-yl]propan-2-ol
CID 167318642
1-[4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166544130
(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
1-[5-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]amino]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 169133312
(15S)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-17-oxa-4,6,9,11-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8-pentaen-7-amine
CID 171095372

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (CID 167662861) is 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is Cc1cc(Nc2ncnc3ccc(C4=CCNC4)nc23)ccc1Oc1ccn2ncnc2c1.Cl.
What is the InChIKey of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is MZEFBWACPZCEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O.ClH/c1-15-10-17(2-5-21(15)33-18-7-9-32-22(11-18)27-14-29-32)30-24-23-20(26-13-28-24)4-3-19(31-23)16-6-8-25-12-16;/h2-7,9-11,13-14,25H,8,12H2,1H3,(H,26,28,30);1H.
What are the key properties of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 472.94 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 167662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).