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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Related Compounds

N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193925
US9951086, Example 30
CID 118172870
US9951086, Example 87
CID 118173145
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147394543
(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53245863
(4R)-N-(1-benzylpyrazol-4-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53247684
1-(cyclopropylmethyl)-N-(3-fluoropyridin-4-yl)indazole-3-carboxamide
CID 155688341
3,6-dimethyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide
CID 165368508
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415082
(R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3'',2'':4,5]pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 138805970
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309459
N-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 9550983

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).