(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine

C24H25N7O2S — CID 53476345

IUPAC(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
SMILESCOCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCOC[C@@H]3C)nccc21
InChIInChI=1S/C24H25N7O2S/c1-15-13-33-10-8-30(15)24-21-19(5-6-25-24)31(7-9-32-2)23(29-21)18-12-26-22(28-18)16-3-4-20-17(11-16)27-14-34-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,28)/t15-/m0/s1
InChIKeyHZYIDPPBFORDGW-HNNXBMFYSA-N
MW475.58 g/mol
LogP3.97
Rot. Bonds6

About (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine

(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine (PubChem CID 53476345) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
PubChem CID53476345
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
SMILESCOCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCOC[C@@H]3C)nccc21
InChIInChI=1S/C24H25N7O2S/c1-15-13-33-10-8-30(15)24-21-19(5-6-25-24)31(7-9-32-2)23(29-21)18-12-26-22(28-18)16-3-4-20-17(11-16)27-14-34-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,28)/t15-/m0/s1
InChIKeyHZYIDPPBFORDGW-HNNXBMFYSA-N
XLogP3.97
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine (CID 53476345) is (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine is COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCOC[C@@H]3C)nccc21.
What is the InChIKey of (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine?
The InChIKey is HZYIDPPBFORDGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-15-13-33-10-8-30(15)24-21-19(5-6-25-24)31(7-9-32-2)23(29-21)18-12-26-22(28-18)16-3-4-20-17(11-16)27-14-34-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,28)/t15-/m0/s1.
What are the key properties of (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine?
(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine has a molecular weight of 475.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 53476345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).