(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone

C16H13Cl2N3O3 — CID 2077859

IUPAC(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12
InChIInChI=1S/C16H13Cl2N3O3/c1-8-11-4-9(7-19-16(11)21(20-8)2-3-22)14(23)12-5-10(17)6-13(18)15(12)24/h4-7,22,24H,2-3H2,1H3
InChIKeyDPSACVDEQNTMCI-UHFFFAOYSA-N
MW366.20 g/mol
LogP2.98
Rot. Bonds4

About (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone

(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 2077859) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID2077859
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCc1nn(CCO)c2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12
InChIInChI=1S/C16H13Cl2N3O3/c1-8-11-4-9(7-19-16(11)21(20-8)2-3-22)14(23)12-5-10(17)6-13(18)15(12)24/h4-7,22,24H,2-3H2,1H3
InChIKeyDPSACVDEQNTMCI-UHFFFAOYSA-N
XLogP2.98
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone (CID 2077859) is (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is Cc1nn(CCO)c2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12.
What is the InChIKey of (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is DPSACVDEQNTMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-8-11-4-9(7-19-16(11)21(20-8)2-3-22)14(23)12-5-10(17)6-13(18)15(12)24/h4-7,22,24H,2-3H2,1H3.
What are the key properties of (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone?
(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 366.20 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 2077859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).