ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate

C15H16N4O2 — CID 68704641

IUPACethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3
InChIKeyZHPCPHAZJDTWGF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.00
Rot. Bonds4

About ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate

ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate (PubChem CID 68704641) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
PubChem CID68704641
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3
InChIKeyZHPCPHAZJDTWGF-UHFFFAOYSA-N
XLogP2.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
CID 138986127
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl (Z)-3-(3,5-dimethoxyphenyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]prop-2-enoate
CID 118333018
ethyl 2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]acetate
CID 68910003
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 90287809
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
ethyl 1-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)pyrazole-3-carboxylate
CID 122522198
ethyl 4-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-4-oxobutanoate
CID 121196424
ethyl 2-(2-methylsulfanyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetate
CID 20855138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate (CID 68704641) is ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate is CCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21.
What is the InChIKey of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The InChIKey is ZHPCPHAZJDTWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate has a molecular weight of 284.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate is sourced from PubChem (CID 68704641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).