(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol

C24H23N7O — CID 59473455

IUPAC(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccc(Nc3nc(-c4cnc5cc[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c32-19-2-1-10-30(14-19)18-5-3-17(4-6-18)28-23-24-26-9-11-31(24)15-22(29-23)16-12-21-20(27-13-16)7-8-25-21/h3-9,11-13,15,19,25,32H,1-2,10,14H2,(H,28,29)/t19-/m1/s1
InChIKeyNZBWRSAITGAEGC-LJQANCHMSA-N
MW425.50 g/mol
LogP3.98
Rot. Bonds4

About (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol

(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol (PubChem CID 59473455) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
PubChem CID59473455
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccc(Nc3nc(-c4cnc5cc[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c32-19-2-1-10-30(14-19)18-5-3-17(4-6-18)28-23-24-26-9-11-31(24)15-22(29-23)16-12-21-20(27-13-16)7-8-25-21/h3-9,11-13,15,19,25,32H,1-2,10,14H2,(H,28,29)/t19-/m1/s1
InChIKeyNZBWRSAITGAEGC-LJQANCHMSA-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'}

Analyze (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol with MolForge

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Related Compounds

(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473119
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
2-[2-morpholin-4-yl-5-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanol
CID 59473076
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
6-(1H-indazol-6-yl)-N-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473339
(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
CID 141271458
2-[1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-yl]ethanol
CID 59473092
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473271
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473382
(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
CID 153240462
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647
[(2R)-4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 157358038

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The IUPAC name of (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) is (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol is O[C@@H]1CCCN(c2ccc(Nc3nc(-c4cnc5cc[nH]c5c4)cn4ccnc34)cc2)C1.
What is the InChIKey of (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
The InChIKey is NZBWRSAITGAEGC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N7O/c32-19-2-1-10-30(14-19)18-5-3-17(4-6-18)28-23-24-26-9-11-31(24)15-22(29-23)16-12-21-20(27-13-16)7-8-25-21/h3-9,11-13,15,19,25,32H,1-2,10,14H2,(H,28,29)/t19-/m1/s1.
What are the key properties of (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol?
(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-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 (3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol is sourced from PubChem (CID 59473455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).