N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide

C21H26N6O3 — CID 86882226

IUPACN-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cnc4onc(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C21H26N6O3/c1-4-27-12-16(11-23-27)24-19(28)14-5-7-26(8-6-14)21(29)15-9-17-18(13(2)3)25-30-20(17)22-10-15/h9-14H,4-8H2,1-3H3,(H,24,28)
InChIKeyJZVVXOQNIZTKIZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.05
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide (PubChem CID 86882226) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
PubChem CID86882226
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cnc4onc(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C21H26N6O3/c1-4-27-12-16(11-23-27)24-19(28)14-5-7-26(8-6-14)21(29)15-9-17-18(13(2)3)25-30-20(17)22-10-15/h9-14H,4-8H2,1-3H3,(H,24,28)
InChIKeyJZVVXOQNIZTKIZ-UHFFFAOYSA-N
XLogP3.05
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947532
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882172
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973530
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882210
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide (CID 86882226) is N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)c3cnc4onc(C(C)C)c4c3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is JZVVXOQNIZTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-27-12-16(11-23-27)24-19(28)14-5-7-26(8-6-14)21(29)15-9-17-18(13(2)3)25-30-20(17)22-10-15/h9-14H,4-8H2,1-3H3,(H,24,28).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86882226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).