(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

C20H16ClN3OS — CID 53179854

IUPAC(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H16ClN3OS/c21-18-10-15(5-7-22-18)20(25)24-8-6-14-9-13(3-4-17(14)24)16-11-26-19(23-16)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2
InChIKeyPJDPGLUCWCEGRS-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.94
Rot. Bonds3

About (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 53179854) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID53179854
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H16ClN3OS/c21-18-10-15(5-7-22-18)20(25)24-8-6-14-9-13(3-4-17(14)24)16-11-26-19(23-16)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2
InChIKeyPJDPGLUCWCEGRS-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (CID 53179854) is (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21.
What is the InChIKey of (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is PJDPGLUCWCEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-18-10-15(5-7-22-18)20(25)24-8-6-14-9-13(3-4-17(14)24)16-11-26-19(23-16)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2.
What are the key properties of (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 381.89 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 53179854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).