2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide

C19H14ClN5O2 — CID 171537115

IUPAC2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide
SMILESCn1ncc2ncc(Oc3ccnc(-c4ccc(C(N)=O)c(Cl)c4)c3)cc21
InChIInChI=1S/C19H14ClN5O2/c1-25-18-8-13(9-23-17(18)10-24-25)27-12-4-5-22-16(7-12)11-2-3-14(19(21)26)15(20)6-11/h2-10H,1H3,(H2,21,26)
InChIKeyWTYLWVBNKWYXQX-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide

2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide (PubChem CID 171537115) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide
PubChem CID171537115
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide
SMILESCn1ncc2ncc(Oc3ccnc(-c4ccc(C(N)=O)c(Cl)c4)c3)cc21
InChIInChI=1S/C19H14ClN5O2/c1-25-18-8-13(9-23-17(18)10-24-25)27-12-4-5-22-16(7-12)11-2-3-14(19(21)26)15(20)6-11/h2-10H,1H3,(H2,21,26)
InChIKeyWTYLWVBNKWYXQX-UHFFFAOYSA-N
XLogP3.57
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide (CID 171537115) is 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide is Cn1ncc2ncc(Oc3ccnc(-c4ccc(C(N)=O)c(Cl)c4)c3)cc21.
What is the InChIKey of 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is WTYLWVBNKWYXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-25-18-8-13(9-23-17(18)10-24-25)27-12-4-5-22-16(7-12)11-2-3-14(19(21)26)15(20)6-11/h2-10H,1H3,(H2,21,26).
What are the key properties of 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide?
2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 379.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 171537115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).