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

C26H36N6O — CID 145424715

IUPAC3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)cccc3n2)N1CCCO
InChIInChI=1S/C26H36N6O/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/h4-5,7,10-12,19,22-23,33H,3,6,8-9,13-18H2,1-2H3/t22-,23+/m1/s1
InChIKeyURBDHSGAUQCNMX-PKTZIBPZSA-N
MW448.62 g/mol
LogP3.44
Rot. Bonds6

About 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (PubChem CID 145424715) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
PubChem CID145424715
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)cccc3n2)N1CCCO
InChIInChI=1S/C26H36N6O/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/h4-5,7,10-12,19,22-23,33H,3,6,8-9,13-18H2,1-2H3/t22-,23+/m1/s1
InChIKeyURBDHSGAUQCNMX-PKTZIBPZSA-N
XLogP3.44
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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

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4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
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7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
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Imidazopyridine 12a
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Imidazopyridine 18a
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Imidazopyridine 18b
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Imidazopyridine 18d
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5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (CID 145424715) is 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)imidazo[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)imidazo[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)cccc3n2)N1CCCO.
What is the InChIKey of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The InChIKey is URBDHSGAUQCNMX-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H36N6O/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/h4-5,7,10-12,19,22-23,33H,3,6,8-9,13-18H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of 3-[(2R,6S)-2-[5-(4-methylpiperazin-1-yl)imidazo[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)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol has a molecular weight of 448.62 g/mol, XLogP of 3.44, 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)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 145424715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).