[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone

C24H24N6O2S — CID 22259239

IUPAC[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCc1cccc2c(-c3nc(C(=O)N4CC(N5CCOCC5)C4)c(-c4cccnc4)s3)[nH]nc12
InChIInChI=1S/C24H24N6O2S/c1-15-4-2-6-18-19(15)27-28-20(18)23-26-21(22(33-23)16-5-3-7-25-12-16)24(31)30-13-17(14-30)29-8-10-32-11-9-29/h2-7,12,17H,8-11,13-14H2,1H3,(H,27,28)
InChIKeyOUDQVPSBPXVZGY-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.21
Rot. Bonds4

About [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone

[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone (PubChem CID 22259239) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
PubChem CID22259239
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCc1cccc2c(-c3nc(C(=O)N4CC(N5CCOCC5)C4)c(-c4cccnc4)s3)[nH]nc12
InChIInChI=1S/C24H24N6O2S/c1-15-4-2-6-18-19(15)27-28-20(18)23-26-21(22(33-23)16-5-3-7-25-12-16)24(31)30-13-17(14-30)29-8-10-32-11-9-29/h2-7,12,17H,8-11,13-14H2,1H3,(H,27,28)
InChIKeyOUDQVPSBPXVZGY-UHFFFAOYSA-N
XLogP3.21
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone (CID 22259239) is [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone is Cc1cccc2c(-c3nc(C(=O)N4CC(N5CCOCC5)C4)c(-c4cccnc4)s3)[nH]nc12.
What is the InChIKey of [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The InChIKey is OUDQVPSBPXVZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-15-4-2-6-18-19(15)27-28-20(18)23-26-21(22(33-23)16-5-3-7-25-12-16)24(31)30-13-17(14-30)29-8-10-32-11-9-29/h2-7,12,17H,8-11,13-14H2,1H3,(H,27,28).
What are the key properties of [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone has a molecular weight of 460.56 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 22259239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).