6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

C26H24ClN5O3 — CID 144717308

IUPAC6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCO)cc(-c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C3CNC3)cc2)n1
InChIInChI=1S/C26H24ClN5O3/c27-18-3-6-25(21(13-18)24-7-9-30-32(24)19-14-29-15-19)35-20-4-1-17(2-5-20)22-11-16(8-10-33)12-23(31-22)26(28)34/h1-7,9,11-13,19,29,33H,8,10,14-15H2,(H2,28,34)
InChIKeyOBXNFAOVZMINEV-UHFFFAOYSA-N
MW489.96 g/mol
LogP3.84
Rot. Bonds8

About 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 144717308) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID144717308
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC Name6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(CCO)cc(-c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C3CNC3)cc2)n1
InChIInChI=1S/C26H24ClN5O3/c27-18-3-6-25(21(13-18)24-7-9-30-32(24)19-14-29-15-19)35-20-4-1-17(2-5-20)22-11-16(8-10-33)12-23(31-22)26(28)34/h1-7,9,11-13,19,29,33H,8,10,14-15H2,(H2,28,34)
InChIKeyOBXNFAOVZMINEV-UHFFFAOYSA-N
XLogP3.84
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (CID 144717308) is 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is NC(=O)c1cc(CCO)cc(-c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C3CNC3)cc2)n1.
What is the InChIKey of 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is OBXNFAOVZMINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c27-18-3-6-25(21(13-18)24-7-9-30-32(24)19-14-29-15-19)35-20-4-1-17(2-5-20)22-11-16(8-10-33)12-23(31-22)26(28)34/h1-7,9,11-13,19,29,33H,8,10,14-15H2,(H2,28,34).
What are the key properties of 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 144717308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).