3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

C18H21FN6O2 — CID 66646473

IUPAC3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C18H21FN6O2/c1-10(2)21-18(26)14-8-15(22-25(14)5)24(4)17-11(3)27-23-16(17)13-7-6-12(19)9-20-13/h6-10H,1-5H3,(H,21,26)
InChIKeyPMJXIOKKCBUSDP-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.82
Rot. Bonds5

About 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 66646473) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID66646473
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C18H21FN6O2/c1-10(2)21-18(26)14-8-15(22-25(14)5)24(4)17-11(3)27-23-16(17)13-7-6-12(19)9-20-13/h6-10H,1-5H3,(H,21,26)
InChIKeyPMJXIOKKCBUSDP-UHFFFAOYSA-N
XLogP2.82
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 66646473) is 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC(C)C)n(C)n1.
What is the InChIKey of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is PMJXIOKKCBUSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-10(2)21-18(26)14-8-15(22-25(14)5)24(4)17-11(3)27-23-16(17)13-7-6-12(19)9-20-13/h6-10H,1-5H3,(H,21,26).
What are the key properties of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66646473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).