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

C18H21FN6O2 — CID 59568411

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)c1CNc1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C18H21FN6O2/c1-10(2)22-18(26)15-7-16(23-25(15)4)21-9-13-11(3)27-24-17(13)14-6-5-12(19)8-20-14/h5-8,10H,9H2,1-4H3,(H,21,23)(H,22,26)
InChIKeyAFVMCMRRVUUTNH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.67
Rot. Bonds6

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 59568411) 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 CID59568411
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)c1CNc1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C18H21FN6O2/c1-10(2)22-18(26)15-7-16(23-25(15)4)21-9-13-11(3)27-24-17(13)14-6-5-12(19)8-20-14/h5-8,10H,9H2,1-4H3,(H,21,23)(H,22,26)
InChIKeyAFVMCMRRVUUTNH-UHFFFAOYSA-N
XLogP2.67
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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 59568411) 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)c1CNc1cc(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 AFVMCMRRVUUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-10(2)22-18(26)15-7-16(23-25(15)4)21-9-13-11(3)27-24-17(13)14-6-5-12(19)8-20-14/h5-8,10H,9H2,1-4H3,(H,21,23)(H,22,26).
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 2.67, 6 rotatable bonds, 2 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 59568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).