tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate

C19H21N5O3 — CID 142420766

IUPACtert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Nc3cccnc3)ccc21
InChIInChI=1S/C19H21N5O3/c1-19(2,3)27-16(25)11-24-15-7-6-12(22-13-5-4-8-21-10-13)9-14(15)17(23-24)18(20)26/h4-10,22H,11H2,1-3H3,(H2,20,26)
InChIKeyWYALPVRVNAUXFK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate

tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate (PubChem CID 142420766) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate
PubChem CID142420766
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Nametert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Nc3cccnc3)ccc21
InChIInChI=1S/C19H21N5O3/c1-19(2,3)27-16(25)11-24-15-7-6-12(22-13-5-4-8-21-10-13)9-14(15)17(23-24)18(20)26/h4-10,22H,11H2,1-3H3,(H2,20,26)
InChIKeyWYALPVRVNAUXFK-UHFFFAOYSA-N
XLogP2.62
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate (CID 142420766) is tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate is CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Nc3cccnc3)ccc21.
What is the InChIKey of tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate?
The InChIKey is WYALPVRVNAUXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-19(2,3)27-16(25)11-24-15-7-6-12(22-13-5-4-8-21-10-13)9-14(15)17(23-24)18(20)26/h4-10,22H,11H2,1-3H3,(H2,20,26).
What are the key properties of tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate?
tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate has a molecular weight of 367.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate is sourced from PubChem (CID 142420766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).