7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C18H20N8O2 — CID 69435232

IUPAC7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCc1cc(CN2CCC(Nc3nc(N)n4nc(-c5ccco5)cc4n3)C2)no1
InChIInChI=1S/C18H20N8O2/c1-11-7-13(24-28-11)10-25-5-4-12(9-25)20-18-21-16-8-14(15-3-2-6-27-15)23-26(16)17(19)22-18/h2-3,6-8,12H,4-5,9-10H2,1H3,(H3,19,20,21,22)
InChIKeyKGGVKKRSCSMIFH-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.95
Rot. Bonds5

About 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 69435232) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID69435232
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCc1cc(CN2CCC(Nc3nc(N)n4nc(-c5ccco5)cc4n3)C2)no1
InChIInChI=1S/C18H20N8O2/c1-11-7-13(24-28-11)10-25-5-4-12(9-25)20-18-21-16-8-14(15-3-2-6-27-15)23-26(16)17(19)22-18/h2-3,6-8,12H,4-5,9-10H2,1H3,(H3,19,20,21,22)
InChIKeyKGGVKKRSCSMIFH-UHFFFAOYSA-N
XLogP1.95
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 124674718
5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46953383
7-(furan-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170670
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 46960471
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
7-(furan-2-yl)-2-N-[2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 146467580
7-(furan-2-yl)-2-piperazin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69432521
2-N-[2-[4-(2-fluoro-4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethyl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 146468295
[4-[[(3R)-3-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 92550770
2-(2-ethoxyethyl)-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170669
2-N-[2-[4-[2,4-difluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]piperazin-1-yl]ethyl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 146467596

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 69435232) is 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is Cc1cc(CN2CCC(Nc3nc(N)n4nc(-c5ccco5)cc4n3)C2)no1.
What is the InChIKey of 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is KGGVKKRSCSMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-11-7-13(24-28-11)10-25-5-4-12(9-25)20-18-21-16-8-14(15-3-2-6-27-15)23-26(16)17(19)22-18/h2-3,6-8,12H,4-5,9-10H2,1H3,(H3,19,20,21,22).
What are the key properties of 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 380.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 69435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).