ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one

C21H28N8O — CID 167450026

IUPACethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
SMILESCC.O=C1CCCN1c1cn2c(-c3ccnc(NC4CCCNC4)n3)cnc2cn1
InChIInChI=1S/C19H22N8O.C2H6/c28-18-4-2-8-26(18)17-12-27-15(10-22-16(27)11-23-17)14-5-7-21-19(25-14)24-13-3-1-6-20-9-13;1-2/h5,7,10-13,20H,1-4,6,8-9H2,(H,21,24,25);1-2H3
InChIKeyQYOPCDCKLWWFQC-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.50
Rot. Bonds4

About ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one

ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one (PubChem CID 167450026) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
PubChem CID167450026
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Nameethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
SMILESCC.O=C1CCCN1c1cn2c(-c3ccnc(NC4CCCNC4)n3)cnc2cn1
InChIInChI=1S/C19H22N8O.C2H6/c28-18-4-2-8-26(18)17-12-27-15(10-22-16(27)11-23-17)14-5-7-21-19(25-14)24-13-3-1-6-20-9-13;1-2/h5,7,10-13,20H,1-4,6,8-9H2,(H,21,24,25);1-2H3
InChIKeyQYOPCDCKLWWFQC-UHFFFAOYSA-N
XLogP2.50
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
CID 164560997
ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170591549
1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129571
1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449935
1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen
CID 170769613
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
[3-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 176741120
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449985
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
N-[(3R)-piperidin-3-yl]-6-(6-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)pyridin-2-amine
CID 164561154
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one?
The IUPAC name of ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one (CID 167450026) is ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one?
The canonical SMILES for ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one is CC.O=C1CCCN1c1cn2c(-c3ccnc(NC4CCCNC4)n3)cnc2cn1.
What is the InChIKey of ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one?
The InChIKey is QYOPCDCKLWWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O.C2H6/c28-18-4-2-8-26(18)17-12-27-15(10-22-16(27)11-23-17)14-5-7-21-19(25-14)24-13-3-1-6-20-9-13;1-2/h5,7,10-13,20H,1-4,6,8-9H2,(H,21,24,25);1-2H3.
What are the key properties of ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one?
ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one has a molecular weight of 408.51 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 167450026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).