1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid

C15H11ClN4O3 — CID 71253095

IUPAC1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Oc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)CC1
InChIInChI=1S/C15H11ClN4O3/c16-8-3-9-10(5-19-13(9)18-4-8)11-6-17-7-12(20-11)23-15(1-2-15)14(21)22/h3-7H,1-2H2,(H,18,19)(H,21,22)
InChIKeyAAXHKSRFBMSCGP-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.67
Rot. Bonds4

About 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid

1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid (PubChem CID 71253095) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid
PubChem CID71253095
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Oc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)CC1
InChIInChI=1S/C15H11ClN4O3/c16-8-3-9-10(5-19-13(9)18-4-8)11-6-17-7-12(20-11)23-15(1-2-15)14(21)22/h3-7H,1-2H2,(H,18,19)(H,21,22)
InChIKeyAAXHKSRFBMSCGP-UHFFFAOYSA-N
XLogP2.67
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71252889
(E)-3-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 54576261
(2S)-N-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-2-(3,3,3-trifluoropropylamino)propanamide
CID 71253205
(2R)-N-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]propanamide
CID 71252772
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 71252770
cis-(1R,2R)-1-amino-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122518588
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 71253229
(2R)-4-acetyl-1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 54579563
(2R)-N-[(2-chloro-3-pyridinyl)methyl]-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]propanamide
CID 89405055
3-[2-(azepan-1-yl)pyrimidin-4-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 11587926
6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;molecular hydrogen
CID 159000986
3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 77385386

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid (CID 71253095) is 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid is O=C(O)C1(Oc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)CC1.
What is the InChIKey of 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid?
The InChIKey is AAXHKSRFBMSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-8-3-9-10(5-19-13(9)18-4-8)11-6-17-7-12(20-11)23-15(1-2-15)14(21)22/h3-7H,1-2H2,(H,18,19)(H,21,22).
What are the key properties of 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid?
1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid has a molecular weight of 330.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]oxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 71253095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).