methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C17H14FN3O4 — CID 46866423

IUPACmethyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3c(F)cccc3OC)cnc2[nH]1
InChIInChI=1S/C17H14FN3O4/c1-24-13-5-3-4-11(18)14(13)16(22)20-10-6-9-7-12(17(23)25-2)21-15(9)19-8-10/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFCDMJPPRJSFFRX-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.75
Rot. Bonds4

About methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 46866423) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID46866423
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Namemethyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3c(F)cccc3OC)cnc2[nH]1
InChIInChI=1S/C17H14FN3O4/c1-24-13-5-3-4-11(18)14(13)16(22)20-10-6-9-7-12(17(23)25-2)21-15(9)19-8-10/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFCDMJPPRJSFFRX-UHFFFAOYSA-N
XLogP2.75
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethoxybenzamide
CID 44591559
Ethyl 4-(3-methoxyphenyl)-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135894286
2-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226620
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 71724989
4-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 145963687
2-methoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 916291
N-[2-(4-fluoroanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 16317635
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 16318784
N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591581
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591923

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 46866423) is methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(NC(=O)c3c(F)cccc3OC)cnc2[nH]1.
What is the InChIKey of methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is FCDMJPPRJSFFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-24-13-5-3-4-11(18)14(13)16(22)20-10-6-9-7-12(17(23)25-2)21-15(9)19-8-10/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 46866423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).