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

C26H38N6O — CID 155373924

IUPAC3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
SMILESCc1cccnc1[C@@H]1CCC[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1CCCO
InChIInChI=1S/C26H38N6O/c1-20-7-5-12-27-26(20)23-9-3-8-22(31(23)13-6-18-33)21-19-32-24(28-21)10-4-11-25(32)30-16-14-29(2)15-17-30/h4-5,7,10-12,21-23,33H,3,6,8-9,13-19H2,1-2H3/t21?,22-,23+/m1/s1
InChIKeyQQYHPJAFZMODQY-NRSZHQCHSA-N
MW450.63 g/mol
LogP2.41
Rot. Bonds6

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

3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (PubChem CID 155373924) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
PubChem CID155373924
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
SMILESCc1cccnc1[C@@H]1CCC[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1CCCO
InChIInChI=1S/C26H38N6O/c1-20-7-5-12-27-26(20)23-9-3-8-22(31(23)13-6-18-33)21-19-32-24(28-21)10-4-11-25(32)30-16-14-29(2)15-17-30/h4-5,7,10-12,21-23,33H,3,6,8-9,13-19H2,1-2H3/t21?,22-,23+/m1/s1
InChIKeyQQYHPJAFZMODQY-NRSZHQCHSA-N
XLogP2.41
TPSA58.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol
CID 146555165
2-[(2R,4S,6S)-4-methoxy-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 146555164
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
(8R)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71162773
tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 146556157
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
CID 67421095
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
[5-(4-methylpiperazin-1-yl)-2-[[pyridin-4-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 71088892
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 146555522

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (CID 155373924) is 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol is Cc1cccnc1[C@@H]1CCC[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1CCCO.
What is the InChIKey of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The InChIKey is QQYHPJAFZMODQY-NRSZHQCHSA-N. The full InChI is InChI=1S/C26H38N6O/c1-20-7-5-12-27-26(20)23-9-3-8-22(31(23)13-6-18-33)21-19-32-24(28-21)10-4-11-25(32)30-16-14-29(2)15-17-30/h4-5,7,10-12,21-23,33H,3,6,8-9,13-19H2,1-2H3/t21?,22-,23+/m1/s1.
What are the key properties of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol has a molecular weight of 450.63 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 155373924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).