(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol

C24H23N7O — CID 59473119

IUPAC(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c32-20-2-1-10-30(14-20)19-7-5-18(6-8-19)27-23-24-25-9-11-31(24)15-22(28-23)16-3-4-17-13-26-29-21(17)12-16/h3-9,11-13,15,20,32H,1-2,10,14H2,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKeyWHCBWMLTXCJSPT-FQEVSTJZSA-N
MW425.50 g/mol
LogP3.98
Rot. Bonds4

About (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol

(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol (PubChem CID 59473119) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
PubChem CID59473119
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c32-20-2-1-10-30(14-20)19-7-5-18(6-8-19)27-23-24-25-9-11-31(24)15-22(28-23)16-3-4-17-13-26-29-21(17)12-16/h3-9,11-13,15,20,32H,1-2,10,14H2,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKeyWHCBWMLTXCJSPT-FQEVSTJZSA-N
XLogP3.98
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol (CID 59473119) is (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol is O[C@H]1CCCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1.
What is the InChIKey of (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The InChIKey is WHCBWMLTXCJSPT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N7O/c32-20-2-1-10-30(14-20)19-7-5-18(6-8-19)27-23-24-25-9-11-31(24)15-22(28-23)16-3-4-17-13-26-29-21(17)12-16/h3-9,11-13,15,20,32H,1-2,10,14H2,(H,26,29)(H,27,28)/t20-/m0/s1.
What are the key properties of (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol has a molecular weight of 425.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol is sourced from PubChem (CID 59473119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).