5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C19H21F2N7O3 — CID 163291942

IUPAC5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(F)F)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C19H21F2N7O3/c1-9(2)28-17(22)15(18(23)30)16(26-28)11-5-4-10(8-24-11)6-13(29)25-14-7-12(27-31-14)19(3,20)21/h4-5,7-9H,6,22H2,1-3H3,(H2,23,30)(H,25,29)
InChIKeyVFVILTUMNJPKLW-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.49
Rot. Bonds7

About 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291942) has the molecular formula C19H21F2N7O3 and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291942
Molecular FormulaC19H21F2N7O3
Molecular Weight433.42 g/mol
Exact Mass433.17
IUPAC Name5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(F)F)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C19H21F2N7O3/c1-9(2)28-17(22)15(18(23)30)16(26-28)11-5-4-10(8-24-11)6-13(29)25-14-7-12(27-31-14)19(3,20)21/h4-5,7-9H,6,22H2,1-3H3,(H2,23,30)(H,25,29)
InChIKeyVFVILTUMNJPKLW-UHFFFAOYSA-N
XLogP2.49
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291942) is 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(F)F)no3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VFVILTUMNJPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O3/c1-9(2)28-17(22)15(18(23)30)16(26-28)11-5-4-10(8-24-11)6-13(29)25-14-7-12(27-31-14)19(3,20)21/h4-5,7-9H,6,22H2,1-3H3,(H2,23,30)(H,25,29).
What are the key properties of 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).