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

C18H19FN6O2 — CID 66646325

IUPACN-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C18H19FN6O2/c1-10-17(16(23-27-10)13-7-4-11(19)9-20-13)24(2)15-8-14(25(3)22-15)18(26)21-12-5-6-12/h4,7-9,12H,5-6H2,1-3H3,(H,21,26)
InChIKeyLGDLBDLWAYPSJW-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.58
Rot. Bonds5

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

N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 66646325) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide
PubChem CID66646325
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC NameN-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C18H19FN6O2/c1-10-17(16(23-27-10)13-7-4-11(19)9-20-13)24(2)15-8-14(25(3)22-15)18(26)21-12-5-6-12/h4,7-9,12H,5-6H2,1-3H3,(H,21,26)
InChIKeyLGDLBDLWAYPSJW-UHFFFAOYSA-N
XLogP2.58
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide (CID 66646325) is N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)NC2CC2)n(C)n1.
What is the InChIKey of N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is LGDLBDLWAYPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10-17(16(23-27-10)13-7-4-11(19)9-20-13)24(2)15-8-14(25(3)22-15)18(26)21-12-5-6-12/h4,7-9,12H,5-6H2,1-3H3,(H,21,26).
What are the key properties of N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide?
N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-methylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66646325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).