tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate

C18H24N4O3 — CID 142496039

IUPACtert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(N3CCCC3)ccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-15(23)11-22-14-7-6-12(21-8-4-5-9-21)10-13(14)16(20-22)17(19)24/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,19,24)
InChIKeyCHENZZKXNIMMIF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate

tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate (PubChem CID 142496039) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate
PubChem CID142496039
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(N3CCCC3)ccc21
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-15(23)11-22-14-7-6-12(21-8-4-5-9-21)10-13(14)16(20-22)17(19)24/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,19,24)
InChIKeyCHENZZKXNIMMIF-UHFFFAOYSA-N
XLogP2.08
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate
CID 142420766
tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
CID 123586260
tert-butyl 2-(5-chloro-3-iodoindazol-1-yl)acetate
CID 129217032
tert-butyl 2-[3-acetyl-5-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]indazol-1-yl]acetate
CID 126623181
methyl 1-methyl-5-pyrrolidin-1-ylindazole-3-carboxylate
CID 168515151
2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid
CID 118324897
tert-butyl 4-[3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-5-yl]piperazine-1-carboxylate
CID 118323541
tert-butyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]amino]propanoate
CID 130300102
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
CID 146281522
tert-butyl 2-(5-piperazin-1-ylindol-1-yl)acetate
CID 174621910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate (CID 142496039) is tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate is CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(N3CCCC3)ccc21.
What is the InChIKey of tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate?
The InChIKey is CHENZZKXNIMMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-15(23)11-22-14-7-6-12(21-8-4-5-9-21)10-13(14)16(20-22)17(19)24/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,19,24).
What are the key properties of tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate?
tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate has a molecular weight of 344.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate is sourced from PubChem (CID 142496039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).