8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H16F2N8O — CID 146490904

IUPAC8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(N)n1
InChIInChI=1S/C21H16F2N8O/c1-10-7-11(8-15(24)27-10)17-18(20-26-5-6-32-20)29-21(25)31-19(17)28-16(30-31)9-12-13(22)3-2-4-14(12)23/h2-8H,9H2,1H3,(H2,24,27)(H2,25,29)
InChIKeyRLIVWVXEZVEFKJ-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.18
Rot. Bonds4

About 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490904) has the molecular formula C21H16F2N8O and a molecular weight of 434.41 g/mol. Its IUPAC name is 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490904
Molecular FormulaC21H16F2N8O
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC Name8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(N)n1
InChIInChI=1S/C21H16F2N8O/c1-10-7-11(8-15(24)27-10)17-18(20-26-5-6-32-20)29-21(25)31-19(17)28-16(30-31)9-12-13(22)3-2-4-14(12)23/h2-8H,9H2,1H3,(H2,24,27)(H2,25,29)
InChIKeyRLIVWVXEZVEFKJ-UHFFFAOYSA-N
XLogP3.18
TPSA134.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
N-[3-(5-oxazolyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-2-pyrimidinamine
CID 10172326
[(3S,4S)-3-methyl-1-[7-(1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134265003
2-((8-amino-7-fluoro-6-(4-methyl-6-(oxazol-2-yl)pyridin-3-yl)isoquinolin-3-yl)amino)-4,6-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342876
2-((3-Fluoropyridin-2-yl)methyl)-8-(3-methylimi dazo[l,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine
CID 146490628
5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-isopropylpyrdin-2(1H)-one
CID 146490903
2-((3-(difluoromethoxy)pyridin-2-yl)methyI)-8-(imidazo[1,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[1,2, 4]triazolo[1,5-c]pyrimidin-5-amine
CID 155371223
US11472811, Example 142B
CID 155757773
5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 645008
5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 652821
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
CID 654644
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-methyl-benzyl)-1H-pyrazol-3-yl]-amide
CID 1165076

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490904) is 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(N)n1.
What is the InChIKey of 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RLIVWVXEZVEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N8O/c1-10-7-11(8-15(24)27-10)17-18(20-26-5-6-32-20)29-21(25)31-19(17)28-16(30-31)9-12-13(22)3-2-4-14(12)23/h2-8H,9H2,1H3,(H2,24,27)(H2,25,29).
What are the key properties of 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 434.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).