1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C97H96BrClN22O2 — CID 158929616

IUPAC1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCC(=O)n1ccc(-c2ccc(-c3cn4cc(CBr)ccc4n3)cc2)n1.CC(=O)n1ccc(-c2ccc(-c3cn4cc(CN(Cc5ccccn5)Cc5ccccn5)ccc4n3)cc2)n1.CCN(CC)CC.Cl.c1ccc(CN(Cc2ccc3nc(-c4ccc(-c5ccn[nH]5)cc4)cn3c2)Cc2ccccn2)nc1.c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C31H27N7O.C29H25N7.C19H15BrN4O.C12H13N3.C6H15N.ClH/c1-23(39)38-17-14-29(35-38)25-9-11-26(12-10-25)30-22-37-19-24(8-13-31(37)34-30)18-36(20-27-6-2-4-15-32-27)21-28-7-3-5-16-33-28;1-3-14-30-25(5-1)19-35(20-26-6-2-4-15-31-26)17-22-7-12-29-33-28(21-36(29)18-22)24-10-8-23(9-11-24)27-13-16-32-34-27;1-13(25)24-9-8-17(22-24)15-3-5-16(6-4-15)18-12-23-11-14(10-20)2-7-19(23)21-18;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;1-4-7(5-2)6-3;/h2-17,19,22H,18,20-21H2,1H3;1-16,18,21H,17,19-20H2,(H,32,34);2-9,11-12H,10H2,1H3;1-8,13H,9-10H2;4-6H2,1-3H3;1H
InChIKeyFBZNGIMEKWFSDC-UHFFFAOYSA-N
MW1717.34 g/mol
LogP18.86
Rot. Bonds26

About 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 158929616) has the molecular formula C97H96BrClN22O2 and a molecular weight of 1717.34 g/mol. Its IUPAC name is 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID158929616
Molecular FormulaC97H96BrClN22O2
Molecular Weight1717.34 g/mol
Exact Mass1714.70
IUPAC Name1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCC(=O)n1ccc(-c2ccc(-c3cn4cc(CBr)ccc4n3)cc2)n1.CC(=O)n1ccc(-c2ccc(-c3cn4cc(CN(Cc5ccccn5)Cc5ccccn5)ccc4n3)cc2)n1.CCN(CC)CC.Cl.c1ccc(CN(Cc2ccc3nc(-c4ccc(-c5ccn[nH]5)cc4)cn3c2)Cc2ccccn2)nc1.c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C31H27N7O.C29H25N7.C19H15BrN4O.C12H13N3.C6H15N.ClH/c1-23(39)38-17-14-29(35-38)25-9-11-26(12-10-25)30-22-37-19-24(8-13-31(37)34-30)18-36(20-27-6-2-4-15-32-27)21-28-7-3-5-16-33-28;1-3-14-30-25(5-1)19-35(20-26-6-2-4-15-31-26)17-22-7-12-29-33-28(21-36(29)18-22)24-10-8-23(9-11-24)27-13-16-32-34-27;1-13(25)24-9-8-17(22-24)15-3-5-16(6-4-15)18-12-23-11-14(10-20)2-7-19(23)21-18;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;1-4-7(5-2)6-3;/h2-17,19,22H,18,20-21H2,1H3;1-16,18,21H,17,19-20H2,(H,32,34);2-9,11-12H,10H2,1H3;1-8,13H,9-10H2;4-6H2,1-3H3;1H
InChIKeyFBZNGIMEKWFSDC-UHFFFAOYSA-N
XLogP18.86
TPSA249.45 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.34
LogP ≤ 518.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride with MolForge

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Related Compounds

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N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
N,N-diethylethanamine;pyridin-2-ylmethylcarbamothioic S-acid
CID 173452330
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
1-[3-[3-(benzylamino)phenyl]pyrazol-1-yl]ethanone
CID 67457770
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 158929616) is 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is CC(=O)n1ccc(-c2ccc(-c3cn4cc(CBr)ccc4n3)cc2)n1.CC(=O)n1ccc(-c2ccc(-c3cn4cc(CN(Cc5ccccn5)Cc5ccccn5)ccc4n3)cc2)n1.CCN(CC)CC.Cl.c1ccc(CN(Cc2ccc3nc(-c4ccc(-c5ccn[nH]5)cc4)cn3c2)Cc2ccccn2)nc1.c1ccc(CNCc2ccccn2)nc1.
What is the InChIKey of 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is FBZNGIMEKWFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O.C29H25N7.C19H15BrN4O.C12H13N3.C6H15N.ClH/c1-23(39)38-17-14-29(35-38)25-9-11-26(12-10-25)30-22-37-19-24(8-13-31(37)34-30)18-36(20-27-6-2-4-15-32-27)21-28-7-3-5-16-33-28;1-3-14-30-25(5-1)19-35(20-26-6-2-4-15-31-26)17-22-7-12-29-33-28(21-36(29)18-22)24-10-8-23(9-11-24)27-13-16-32-34-27;1-13(25)24-9-8-17(22-24)15-3-5-16(6-4-15)18-12-23-11-14(10-20)2-7-19(23)21-18;1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;1-4-7(5-2)6-3;/h2-17,19,22H,18,20-21H2,1H3;1-16,18,21H,17,19-20H2,(H,32,34);2-9,11-12H,10H2,1H3;1-8,13H,9-10H2;4-6H2,1-3H3;1H.
What are the key properties of 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 1717.34 g/mol, XLogP of 18.86, 26 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;1-[3-[4-[6-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazol-1-yl]ethanone;N,N-diethylethanamine;1-[2-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 158929616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).