[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol

C25H34N6O — CID 146555151

IUPAC[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C
InChIInChI=1S/C25H34N6O/c1-18-7-6-12-26-24(18)19-8-4-9-20(29(19)3)25-21(17-32)31-22(27-25)10-5-11-23(31)30-15-13-28(2)14-16-30/h5-7,10-12,19-20,32H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1
InChIKeyIHPNRCUPGXIOOA-VQTJNVASSA-N
MW434.59 g/mol
LogP3.18
Rot. Bonds4

About [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol

[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 146555151) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID146555151
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C
InChIInChI=1S/C25H34N6O/c1-18-7-6-12-26-24(18)19-8-4-9-20(29(19)3)25-21(17-32)31-22(27-25)10-5-11-23(31)30-15-13-28(2)14-16-30/h5-7,10-12,19-20,32H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1
InChIKeyIHPNRCUPGXIOOA-VQTJNVASSA-N
XLogP3.18
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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Related Compounds

Gsk-812397
CID 11718722
2-{[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-ylmethyl]methylamino}ethanol
CID 24887880
2-[4-[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol
CID 24887419
2-{4-[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl}propan-1-ol
CID 24888088
2-[ethyl-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]amino]ethanol
CID 44419904
2-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44419905
(3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25071518
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-7-yl)methanol
CID 44410563
(3-(6-morpholino-9-(1-(4-(pyridin-4-yl)benzyl)piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 46224766
4-[3-[6-(2-Methoxyethyl)pyridin-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380290
3-[6-(2-Methoxyethyl)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 53380382
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CID 53380384

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 146555151) is [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C.
What is the InChIKey of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is IHPNRCUPGXIOOA-VQTJNVASSA-N. The full InChI is InChI=1S/C25H34N6O/c1-18-7-6-12-26-24(18)19-8-4-9-20(29(19)3)25-21(17-32)31-22(27-25)10-5-11-23(31)30-15-13-28(2)14-16-30/h5-7,10-12,19-20,32H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 434.59 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 146555151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).