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

C24H23N7O — CID 59473243

IUPAC(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
SMILESC[C@@]1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c1-24(32)8-10-31(15-24)19-6-4-18(5-7-19)27-22-23-25-9-11-30(23)14-21(28-22)16-2-3-17-13-26-29-20(17)12-16/h2-7,9,11-14,32H,8,10,15H2,1H3,(H,26,29)(H,27,28)/t24-/m1/s1
InChIKeyPQBYMEWLYFLTEV-XMMPIXPASA-N
MW425.50 g/mol
LogP3.98
Rot. Bonds4

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

(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol (PubChem CID 59473243) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
PubChem CID59473243
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
SMILESC[C@@]1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H23N7O/c1-24(32)8-10-31(15-24)19-6-4-18(5-7-19)27-22-23-25-9-11-30(23)14-21(28-22)16-2-3-17-13-26-29-20(17)12-16/h2-7,9,11-14,32H,8,10,15H2,1H3,(H,26,29)(H,27,28)/t24-/m1/s1
InChIKeyPQBYMEWLYFLTEV-XMMPIXPASA-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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Related Compounds

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473119
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
2-[1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-yl]ethanol
CID 59473092
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
CID 151695730
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
6-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-indol-2-one
CID 59473614
6-(1H-indazol-6-yl)-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 141271380
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
CID 59473592
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol (CID 59473243) is (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol is C[C@@]1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1.
What is the InChIKey of (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is PQBYMEWLYFLTEV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23N7O/c1-24(32)8-10-31(15-24)19-6-4-18(5-7-19)27-22-23-25-9-11-30(23)14-21(28-22)16-2-3-17-13-26-29-20(17)12-16/h2-7,9,11-14,32H,8,10,15H2,1H3,(H,26,29)(H,27,28)/t24-/m1/s1.
What are the key properties of (3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol?
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-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-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 59473243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).