[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

C22H22N6O2S — CID 56551679

IUPAC[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1COc1ccc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C22H22N6O2S/c1-26-10-9-23-19(26)15-30-17-6-4-16(5-7-17)21(29)27-11-13-28(14-12-27)22-25-18-3-2-8-24-20(18)31-22/h2-10H,11-15H2,1H3
InChIKeySWJKKJSSKQRWCM-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.97
Rot. Bonds5

About [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 56551679) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID56551679
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1COc1ccc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C22H22N6O2S/c1-26-10-9-23-19(26)15-30-17-6-4-16(5-7-17)21(29)27-11-13-28(14-12-27)22-25-18-3-2-8-24-20(18)31-22/h2-10H,11-15H2,1H3
InChIKeySWJKKJSSKQRWCM-UHFFFAOYSA-N
XLogP2.97
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-pyridin-3-yloxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535663
[4-(2-methoxyethylsulfonyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551678
[3-(methylsulfonylmethyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535555
(4-cyclopentyloxy-3-methoxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535689
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
1-(4-chlorophenyl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 56579280
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
(8-ethoxy-2H-chromen-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535769
1-[2-methyl-4-propyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 56551616
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55851771

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 56551679) is [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is Cn1ccnc1COc1ccc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is SWJKKJSSKQRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-26-10-9-23-19(26)15-30-17-6-4-16(5-7-17)21(29)27-11-13-28(14-12-27)22-25-18-3-2-8-24-20(18)31-22/h2-10H,11-15H2,1H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 434.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)methoxy]phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).