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

C27H38N6O — CID 145424699

IUPAC[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCC(C)c1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C
InChIInChI=1S/C27H38N6O/c1-19(2)20-8-7-13-28-26(20)21-9-5-10-22(31(21)4)27-23(18-34)33-24(29-27)11-6-12-25(33)32-16-14-30(3)15-17-32/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1
InChIKeyQXPSUZZREDCVHC-FCHUYYIVSA-N
MW462.64 g/mol
LogP3.99
Rot. Bonds5

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

[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 145424699) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID145424699
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCC(C)c1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C
InChIInChI=1S/C27H38N6O/c1-19(2)20-8-7-13-28-26(20)21-9-5-10-22(31(21)4)27-23(18-34)33-24(29-27)11-6-12-25(33)32-16-14-30(3)15-17-32/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1
InChIKeyQXPSUZZREDCVHC-FCHUYYIVSA-N
XLogP3.99
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 145424699) is [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is CC(C)c1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2CO)N1C.
What is the InChIKey of [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is QXPSUZZREDCVHC-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H38N6O/c1-19(2)20-8-7-13-28-26(20)21-9-5-10-22(31(21)4)27-23(18-34)33-24(29-27)11-6-12-25(33)32-16-14-30(3)15-17-32/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1.
What are the key properties of [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 462.64 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 145424699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).