4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H21FN6OS — CID 155055257

IUPAC4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(F)c(CN2CC(Oc3ccnc4nn(C)cc34)CC2C)s1
InChIInChI=1S/C17H21FN6OS/c1-10-6-11(7-24(10)9-14-15(18)21-17(19-2)26-14)25-13-4-5-20-16-12(13)8-23(3)22-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyFNMBHUMAZALQPH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.65
Rot. Bonds5

About 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 155055257) has the molecular formula C17H21FN6OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID155055257
Molecular FormulaC17H21FN6OS
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(F)c(CN2CC(Oc3ccnc4nn(C)cc34)CC2C)s1
InChIInChI=1S/C17H21FN6OS/c1-10-6-11(7-24(10)9-14-15(18)21-17(19-2)26-14)25-13-4-5-20-16-12(13)8-23(3)22-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyFNMBHUMAZALQPH-UHFFFAOYSA-N
XLogP2.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 155055257) is 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CNc1nc(F)c(CN2CC(Oc3ccnc4nn(C)cc34)CC2C)s1.
What is the InChIKey of 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is FNMBHUMAZALQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6OS/c1-10-6-11(7-24(10)9-14-15(18)21-17(19-2)26-14)25-13-4-5-20-16-12(13)8-23(3)22-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,21).
What are the key properties of 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 376.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-5-[[2-methyl-4-(2-methylpyrazolo[3,4-b]pyridin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155055257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).