5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H28N6O3 — CID 163292070

IUPAC5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4(C)CC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C23H28N6O3/c1-13(2)29-21(24)19(22(25)31)20(27-29)15-6-4-14(5-7-15)10-17(30)26-18-11-16(28-32-18)12-23(3)8-9-23/h4-7,11,13H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30)
InChIKeyGBXBLLBTMYCMRH-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.32
Rot. Bonds8

About 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292070) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292070
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4(C)CC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C23H28N6O3/c1-13(2)29-21(24)19(22(25)31)20(27-29)15-6-4-14(5-7-15)10-17(30)26-18-11-16(28-32-18)12-23(3)8-9-23/h4-7,11,13H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30)
InChIKeyGBXBLLBTMYCMRH-UHFFFAOYSA-N
XLogP3.32
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292070) is 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4(C)CC4)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is GBXBLLBTMYCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-13(2)29-21(24)19(22(25)31)20(27-29)15-6-4-14(5-7-15)10-17(30)26-18-11-16(28-32-18)12-23(3)8-9-23/h4-7,11,13H,8-10,12,24H2,1-3H3,(H2,25,31)(H,26,30).
What are the key properties of 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[[3-[(1-methylcyclopropyl)methyl]-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).