1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol

C22H25N5O2 — CID 121375953

IUPAC1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
SMILESCc1noc(C)c1-c1cnc2nc(NCC(C)(C)O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H25N5O2/c1-14-19(15(2)29-26-14)17-10-18-20(23-11-17)25-21(24-13-22(3,4)28)27(18)12-16-8-6-5-7-9-16/h5-11,28H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyJCFYDHQNAXFVKN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.93
Rot. Bonds6

About 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol

1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 121375953) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID121375953
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
SMILESCc1noc(C)c1-c1cnc2nc(NCC(C)(C)O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H25N5O2/c1-14-19(15(2)29-26-14)17-10-18-20(23-11-17)25-21(24-13-22(3,4)28)27(18)12-16-8-6-5-7-9-16/h5-11,28H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyJCFYDHQNAXFVKN-UHFFFAOYSA-N
XLogP3.93
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol (CID 121375953) is 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol is Cc1noc(C)c1-c1cnc2nc(NCC(C)(C)O)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is JCFYDHQNAXFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-19(15(2)29-26-14)17-10-18-20(23-11-17)25-21(24-13-22(3,4)28)27(18)12-16-8-6-5-7-9-16/h5-11,28H,12-13H2,1-4H3,(H,23,24,25).
What are the key properties of 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol?
1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 391.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 121375953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).