1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one

C21H23N5O2 — CID 175958440

IUPAC1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)CC1
InChIInChI=1S/C21H23N5O2/c1-3-19(27)25-11-8-16(9-12-25)24-20-21-23-14-18(26(21)13-10-22-20)15-4-6-17(28-2)7-5-15/h3-7,10,13-14,16H,1,8-9,11-12H2,2H3,(H,22,24)
InChIKeyCDRVVTXOXKBNLA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 175958440) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID175958440
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)CC1
InChIInChI=1S/C21H23N5O2/c1-3-19(27)25-11-8-16(9-12-25)24-20-21-23-14-18(26(21)13-10-22-20)15-4-6-17(28-2)7-5-15/h3-7,10,13-14,16H,1,8-9,11-12H2,2H3,(H,22,24)
InChIKeyCDRVVTXOXKBNLA-UHFFFAOYSA-N
XLogP2.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
CID 166890004
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908
tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
CID 150914196
3-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methylamino]propanenitrile
CID 154943418
[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 150787408
4-hydroxy-N-[4-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]piperidine-1-carboxamide
CID 21070878
5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
CID 175843584
tert-butyl 4-[2-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylanilino]-2-oxoethyl]piperazine-1-carboxylate
CID 162384165
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 25192302
1-[4-[[[6-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 86721779
N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943189

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 175958440) is 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)CC1.
What is the InChIKey of 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is CDRVVTXOXKBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-19(27)25-11-8-16(9-12-25)24-20-21-23-14-18(26(21)13-10-22-20)15-4-6-17(28-2)7-5-15/h3-7,10,13-14,16H,1,8-9,11-12H2,2H3,(H,22,24).
What are the key properties of 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 377.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 175958440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).