2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide

C18H14ClN5O2 — CID 155482519

IUPAC2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)ccnc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-2-11-12(5-6-21-17(11)19)18(25)22-10-3-4-14-13(7-10)16(24-23-14)15-8-20-9-26-15/h3-9H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyHXJKWSMFBVAULT-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide

2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide (PubChem CID 155482519) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide
PubChem CID155482519
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)ccnc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-2-11-12(5-6-21-17(11)19)18(25)22-10-3-4-14-13(7-10)16(24-23-14)15-8-20-9-26-15/h3-9H,2H2,1H3,(H,22,25)(H,23,24)
InChIKeyHXJKWSMFBVAULT-UHFFFAOYSA-N
XLogP4.08
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide (CID 155482519) is 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide is CCc1c(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)ccnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide?
The InChIKey is HXJKWSMFBVAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-2-11-12(5-6-21-17(11)19)18(25)22-10-3-4-14-13(7-10)16(24-23-14)15-8-20-9-26-15/h3-9H,2H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide?
2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 155482519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).