(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol

C16H17N5O — CID 141271458

IUPAC(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(Nc3nccn4ccnc34)cc2)C1
InChIInChI=1S/C16H17N5O/c22-14-5-8-21(11-14)13-3-1-12(2-4-13)19-15-16-18-7-10-20(16)9-6-17-15/h1-4,6-7,9-10,14,22H,5,8,11H2,(H,17,19)/t14-/m0/s1
InChIKeyQLGVTYIEENFCPK-AWEZNQCLSA-N
MW295.35 g/mol
LogP2.04
Rot. Bonds3

About (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol

(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol (PubChem CID 141271458) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
PubChem CID141271458
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(Nc3nccn4ccnc34)cc2)C1
InChIInChI=1S/C16H17N5O/c22-14-5-8-21(11-14)13-3-1-12(2-4-13)19-15-16-18-7-10-20(16)9-6-17-15/h1-4,6-7,9-10,14,22H,5,8,11H2,(H,17,19)/t14-/m0/s1
InChIKeyQLGVTYIEENFCPK-AWEZNQCLSA-N
XLogP2.04
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-enylhydrazine;N-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460673
methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 172753640
(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473455
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473119
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol
CID 90027350
(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 175262082
(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326
1-phenylpyrrolidin-3-ol
CID 11171152
N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460860
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol (CID 141271458) is (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol is O[C@H]1CCN(c2ccc(Nc3nccn4ccnc34)cc2)C1.
What is the InChIKey of (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol?
The InChIKey is QLGVTYIEENFCPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5O/c22-14-5-8-21(11-14)13-3-1-12(2-4-13)19-15-16-18-7-10-20(16)9-6-17-15/h1-4,6-7,9-10,14,22H,5,8,11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol?
(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol has a molecular weight of 295.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 141271458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).