N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine

C51H45N9O2 — CID 135141991

IUPACN-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc2nc(-c3ccc(-c4c(Cc5cccc([C@H](C)Nc6c(-c7ccc(-c8c(C)noc8C)cc7)nc7cnccn67)c5)noc4C)cc3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C51H45N9O2/c1-31-14-23-44-55-48(50(60(44)30-31)53-28-36-10-7-6-8-11-36)40-21-17-39(18-22-40)47-35(5)62-58-43(47)27-37-12-9-13-42(26-37)32(2)54-51-49(56-45-29-52-24-25-59(45)51)41-19-15-38(16-20-41)46-33(3)57-61-34(46)4/h6-26,29-30,32,53-54H,27-28H2,1-5H3/t32-/m0/s1
InChIKeyAJTHYNKFVCKBIG-YTTGMZPUSA-N
MW815.98 g/mol
LogP11.63
Rot. Bonds12

About N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine

N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 135141991) has the molecular formula C51H45N9O2 and a molecular weight of 815.98 g/mol. Its IUPAC name is N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID135141991
Molecular FormulaC51H45N9O2
Molecular Weight815.98 g/mol
Exact Mass815.37
IUPAC NameN-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc2nc(-c3ccc(-c4c(Cc5cccc([C@H](C)Nc6c(-c7ccc(-c8c(C)noc8C)cc7)nc7cnccn67)c5)noc4C)cc3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C51H45N9O2/c1-31-14-23-44-55-48(50(60(44)30-31)53-28-36-10-7-6-8-11-36)40-21-17-39(18-22-40)47-35(5)62-58-43(47)27-37-12-9-13-42(26-37)32(2)54-51-49(56-45-29-52-24-25-59(45)51)41-19-15-38(16-20-41)46-33(3)57-61-34(46)4/h6-26,29-30,32,53-54H,27-28H2,1-5H3/t32-/m0/s1
InChIKeyAJTHYNKFVCKBIG-YTTGMZPUSA-N
XLogP11.63
TPSA123.61 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 511.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine (CID 135141991) is N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine is Cc1ccc2nc(-c3ccc(-c4c(Cc5cccc([C@H](C)Nc6c(-c7ccc(-c8c(C)noc8C)cc7)nc7cnccn67)c5)noc4C)cc3)c(NCc3ccccc3)n2c1.
What is the InChIKey of N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is AJTHYNKFVCKBIG-YTTGMZPUSA-N. The full InChI is InChI=1S/C51H45N9O2/c1-31-14-23-44-55-48(50(60(44)30-31)53-28-36-10-7-6-8-11-36)40-21-17-39(18-22-40)47-35(5)62-58-43(47)27-37-12-9-13-42(26-37)32(2)54-51-49(56-45-29-52-24-25-59(45)51)41-19-15-38(16-20-41)46-33(3)57-61-34(46)4/h6-26,29-30,32,53-54H,27-28H2,1-5H3/t32-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 815.98 g/mol, XLogP of 11.63, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[[4-[4-[3-(benzylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenyl]ethyl]-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 135141991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).