tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate

C14H17N3O4 — CID 144820320

IUPACtert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCOc1ccc2c(n1)c(C(N)=O)cn2C(=O)OC(C)(C)C
InChIInChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)17-7-8(12(15)18)11-9(17)5-6-10(16-11)20-4/h5-7H,1-4H3,(H2,15,18)
InChIKeyUGEYZGWSNDLDHS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 144820320) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID144820320
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nametert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCOc1ccc2c(n1)c(C(N)=O)cn2C(=O)OC(C)(C)C
InChIInChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)17-7-8(12(15)18)11-9(17)5-6-10(16-11)20-4/h5-7H,1-4H3,(H2,15,18)
InChIKeyUGEYZGWSNDLDHS-UHFFFAOYSA-N
XLogP1.93
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5-carbamoyl-3-iodoindole-1-carboxylate
CID 67960127
tert-butyl 3-iodopyrrolo[3,2-b]pyridine-1-carboxylate
CID 101043352
CID 167467608
CID 167467608
5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid
CID 53403123
tert-butyl 5-carbamothioylindole-1-carboxylate
CID 76846579
tert-butyl 5-chloro-3-ethylpyrrolo[3,2-b]pyridine-1-carboxylate
CID 123936275
tert-butyl 3-(2-bromo-2-fluoroacetyl)-5-methoxyindole-1-carboxylate
CID 14551693
2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylic acid
CID 150335551
tert-butyl 3-(2-cyanopropan-2-yl)-5-methoxyindole-1-carboxylate
CID 71464018
1-O-tert-butyl 3-O-methyl 4-iodoindole-1,3-dicarboxylate
CID 23651218
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-iodo-6-[(4-methoxyphenyl)methoxy]indole-1-carboxylate
CID 177277556

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate (CID 144820320) is tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate is COc1ccc2c(n1)c(C(N)=O)cn2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is UGEYZGWSNDLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2,3)21-13(19)17-7-8(12(15)18)11-9(17)5-6-10(16-11)20-4/h5-7H,1-4H3,(H2,15,18).
What are the key properties of tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate?
tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 144820320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).