(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H19N5O2 — CID 124605858

IUPAC(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2c(C)noc2n1
InChIInChI=1S/C17H19N5O2/c1-10-8-13(15-11(2)21-24-16(15)19-10)17(23)22-7-3-4-12(9-22)14-5-6-18-20-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyWFXKMRUMURVPNJ-LBPRGKRZSA-N
MW325.37 g/mol
LogP2.58
Rot. Bonds2

About (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124605858) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124605858
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2c(C)noc2n1
InChIInChI=1S/C17H19N5O2/c1-10-8-13(15-11(2)21-24-16(15)19-10)17(23)22-7-3-4-12(9-22)14-5-6-18-20-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyWFXKMRUMURVPNJ-LBPRGKRZSA-N
XLogP2.58
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 51853281
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 125024772
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 110120153
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225215
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225214
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 72853895
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124605858) is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2c(C)noc2n1.
What is the InChIKey of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WFXKMRUMURVPNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-8-13(15-11(2)21-24-16(15)19-10)17(23)22-7-3-4-12(9-22)14-5-6-18-20-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124605858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).