5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide

C19H17ClN4O4 — CID 162659839

IUPAC5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2C(=O)N1CCOCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H17ClN4O4/c20-12-4-5-17(25)13(10-12)18(26)22-15-2-1-3-16-14(15)11-21-24(16)19(27)23-6-8-28-9-7-23/h1-5,10-11,25H,6-9H2,(H,22,26)
InChIKeySWPHGYAKAGKDQV-UHFFFAOYSA-N
MW400.82 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide

5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide (PubChem CID 162659839) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide
PubChem CID162659839
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2C(=O)N1CCOCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H17ClN4O4/c20-12-4-5-17(25)13(10-12)18(26)22-15-2-1-3-16-14(15)11-21-24(16)19(27)23-6-8-28-9-7-23/h1-5,10-11,25H,6-9H2,(H,22,26)
InChIKeySWPHGYAKAGKDQV-UHFFFAOYSA-N
XLogP2.95
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide (CID 162659839) is 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide is O=C(Nc1cccc2c1cnn2C(=O)N1CCOCC1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide?
The InChIKey is SWPHGYAKAGKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c20-12-4-5-17(25)13(10-12)18(26)22-15-2-1-3-16-14(15)11-21-24(16)19(27)23-6-8-28-9-7-23/h1-5,10-11,25H,6-9H2,(H,22,26).
What are the key properties of 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide?
5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide has a molecular weight of 400.82 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide is sourced from PubChem (CID 162659839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).