[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C20H26N6O2 — CID 92553884

IUPAC[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1
InChIInChI=1S/C20H26N6O2/c1-13-11-15(28-24-13)19(27)25-8-5-14(6-9-25)17-18(23-20(2,3)4)26-10-7-21-12-16(26)22-17/h7,10-12,14,23H,5-6,8-9H2,1-4H3
InChIKeyFLUVITGNGNUGBW-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.26
Rot. Bonds3

About [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 92553884) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID92553884
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1
InChIInChI=1S/C20H26N6O2/c1-13-11-15(28-24-13)19(27)25-8-5-14(6-9-25)17-18(23-20(2,3)4)26-10-7-21-12-16(26)22-17/h7,10-12,14,23H,5-6,8-9H2,1-4H3
InChIKeyFLUVITGNGNUGBW-UHFFFAOYSA-N
XLogP3.26
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CID 153534231
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 72135633
5-Isobutyl-1'-[(5-methylisoxazol-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840440
4-[(2-{1-[(5-methylisoxazol-3-yl)carbonyl]piperidin-4-yl}-1H-imidazol-1-yl)methyl]pyridine
CID 72934030
2-[(2-{1-[(5-methylisoxazol-3-yl)carbonyl]piperidin-4-yl}-1H-imidazol-1-yl)methyl]pyridine
CID 72936339
(5-methyl-1,2-oxazol-3-yl)-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467411
(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467457
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 72874866
(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46960158
7-[(3-Isobutylisoxazol-5-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56888109
N-[(5-isobutyl-3-isoxazolyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56903047
3-pentan-3-yl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 72000364

Frequently Asked Questions

What is the IUPAC name of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 92553884) is [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1.
What is the InChIKey of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is FLUVITGNGNUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-13-11-15(28-24-13)19(27)25-8-5-14(6-9-25)17-18(23-20(2,3)4)26-10-7-21-12-16(26)22-17/h7,10-12,14,23H,5-6,8-9H2,1-4H3.
What are the key properties of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 92553884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).