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

C25H30N6O — CID 92561711

IUPAC[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2[nH]c(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc12
InChIInChI=1S/C25H30N6O/c1-16-6-5-7-19-18(16)14-20(27-19)24(32)30-11-8-17(9-12-30)22-23(29-25(2,3)4)31-13-10-26-15-21(31)28-22/h5-7,10,13-15,17,27,29H,8-9,11-12H2,1-4H3
InChIKeyIZUDIYNHIILXPQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.75
Rot. Bonds3

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

[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (PubChem CID 92561711) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
PubChem CID92561711
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2[nH]c(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc12
InChIInChI=1S/C25H30N6O/c1-16-6-5-7-19-18(16)14-20(27-19)24(32)30-11-8-17(9-12-30)22-23(29-25(2,3)4)31-13-10-26-15-21(31)28-22/h5-7,10,13-15,17,27,29H,8-9,11-12H2,1-4H3
InChIKeyIZUDIYNHIILXPQ-UHFFFAOYSA-N
XLogP4.75
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 92553884
(4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92561706
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
(4-methyl-1H-indol-2-yl)-[3-[(2R)-1-methylpiperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622057
[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 171674305
N,2-dicyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 138535553
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110223764
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 166231016
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 92563253
(2R)-2-[2-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-indol-4-yl]-2-hydroxypropanoic acid
CID 52933708

Frequently Asked Questions

What is the IUPAC name of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (CID 92561711) is [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone is Cc1cccc2[nH]c(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc12.
What is the InChIKey of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The InChIKey is IZUDIYNHIILXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16-6-5-7-19-18(16)14-20(27-19)24(32)30-11-8-17(9-12-30)22-23(29-25(2,3)4)31-13-10-26-15-21(31)28-22/h5-7,10,13-15,17,27,29H,8-9,11-12H2,1-4H3.
What are the key properties of [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone has a molecular weight of 430.56 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]-(4-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 92561711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).