3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C22H27N5O2 — CID 99701439

IUPAC3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-14(2)20-19-12-17(13-24-22(19)29-26-20)21(28)25-18-6-10-27(11-7-18)15(3)16-4-8-23-9-5-16/h4-5,8-9,12-15,18H,6-7,10-11H2,1-3H3,(H,25,28)/t15-/m0/s1
InChIKeyNOOROANOPXWNLS-HNNXBMFYSA-N
MW393.49 g/mol
LogP3.70
Rot. Bonds5

About 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 99701439) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID99701439
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-14(2)20-19-12-17(13-24-22(19)29-26-20)21(28)25-18-6-10-27(11-7-18)15(3)16-4-8-23-9-5-16/h4-5,8-9,12-15,18H,6-7,10-11H2,1-3H3,(H,25,28)/t15-/m0/s1
InChIKeyNOOROANOPXWNLS-HNNXBMFYSA-N
XLogP3.70
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
3-(5-methyl-1,2-oxazol-3-yl)-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]propanamide
CID 167941273
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
3-propan-2-yl-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 124820788
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 70295611
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166210280

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 99701439) is 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12.
What is the InChIKey of 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is NOOROANOPXWNLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14(2)20-19-12-17(13-24-22(19)29-26-20)21(28)25-18-6-10-27(11-7-18)15(3)16-4-8-23-9-5-16/h4-5,8-9,12-15,18H,6-7,10-11H2,1-3H3,(H,25,28)/t15-/m0/s1.
What are the key properties of 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 99701439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).