[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C23H22FN5O2S — CID 69282186

IUPAC[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C(N)c2nc3ncccc3o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S/c1-13-27-19(20(32-13)14-7-9-15(24)10-8-14)23(30)29-12-3-2-5-16(29)18(25)22-28-21-17(31-22)6-4-11-26-21/h4,6-11,16,18H,2-3,5,12,25H2,1H3
InChIKeyGHXNOVGJDAOKIG-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.49
Rot. Bonds4

About [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 69282186) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID69282186
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC Name[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C(N)c2nc3ncccc3o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S/c1-13-27-19(20(32-13)14-7-9-15(24)10-8-14)23(30)29-12-3-2-5-16(29)18(25)22-28-21-17(31-22)6-4-11-26-21/h4,6-11,16,18H,2-3,5,12,25H2,1H3
InChIKeyGHXNOVGJDAOKIG-UHFFFAOYSA-N
XLogP4.49
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 69282186) is [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCCCC2C(N)c2nc3ncccc3o2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is GHXNOVGJDAOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c1-13-27-19(20(32-13)14-7-9-15(24)10-8-14)23(30)29-12-3-2-5-16(29)18(25)22-28-21-17(31-22)6-4-11-26-21/h4,6-11,16,18H,2-3,5,12,25H2,1H3.
What are the key properties of [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 451.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino([1,3]oxazolo[4,5-b]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 69282186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).