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

C22H26N6O3 — CID 163291890

IUPAC5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C22H26N6O3/c1-12(2)28-20(23)18(21(24)30)19(26-28)14-6-4-13(5-7-14)10-16(29)25-17-11-15(27-31-17)22(3)8-9-22/h4-7,11-12H,8-10,23H2,1-3H3,(H2,24,30)(H,25,29)
InChIKeyDMMUAKZHWSYGEZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.03
Rot. Bonds7

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

5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291890) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-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)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291890
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C22H26N6O3/c1-12(2)28-20(23)18(21(24)30)19(26-28)14-6-4-13(5-7-14)10-16(29)25-17-11-15(27-31-17)22(3)8-9-22/h4-7,11-12H,8-10,23H2,1-3H3,(H2,24,30)(H,25,29)
InChIKeyDMMUAKZHWSYGEZ-UHFFFAOYSA-N
XLogP3.03
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.03
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)-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)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291890) is 5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-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)-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)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DMMUAKZHWSYGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-12(2)28-20(23)18(21(24)30)19(26-28)14-6-4-13(5-7-14)10-16(29)25-17-11-15(27-31-17)22(3)8-9-22/h4-7,11-12H,8-10,23H2,1-3H3,(H2,24,30)(H,25,29).
What are the key properties of 5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.03, 7 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)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).