5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C21H27N7O3 — CID 163292117

IUPAC5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C21H27N7O3/c1-11(2)28-19(22)17(20(23)30)18(26-28)12-6-7-13(24-10-12)8-16(29)25-15-9-14(31-27-15)21(3,4)5/h6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29)
InChIKeySOQOUYINVQOKHX-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.67
Rot. Bonds6

About 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292117) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292117
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C21H27N7O3/c1-11(2)28-19(22)17(20(23)30)18(26-28)12-6-7-13(24-10-12)8-16(29)25-15-9-14(31-27-15)21(3,4)5/h6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29)
InChIKeySOQOUYINVQOKHX-UHFFFAOYSA-N
XLogP2.67
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292117) is 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)nc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SOQOUYINVQOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-11(2)28-19(22)17(20(23)30)18(26-28)12-6-7-13(24-10-12)8-16(29)25-15-9-14(31-27-15)21(3,4)5/h6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29).
What are the key properties of 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[6-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).