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

C27H38N6O — CID 146555208

IUPAC[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2CO)N1C
InChIInChI=1S/C27H38N6O/c1-19(2)31-14-16-32(17-15-31)25-12-6-11-24-29-27(23(18-34)33(24)25)22-10-5-9-21(30(22)4)26-20(3)8-7-13-28-26/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1
InChIKeyZFJYNKPPNRBFTH-FCHUYYIVSA-N
MW462.64 g/mol
LogP3.96
Rot. Bonds5

About [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 146555208) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID146555208
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2CO)N1C
InChIInChI=1S/C27H38N6O/c1-19(2)31-14-16-32(17-15-31)25-12-6-11-24-29-27(23(18-34)33(24)25)22-10-5-9-21(30(22)4)26-20(3)8-7-13-28-26/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1
InChIKeyZFJYNKPPNRBFTH-FCHUYYIVSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 146555208) is [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C(C)C)CC4)n3c2CO)N1C.
What is the InChIKey of [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is ZFJYNKPPNRBFTH-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H38N6O/c1-19(2)31-14-16-32(17-15-31)25-12-6-11-24-29-27(23(18-34)33(24)25)22-10-5-9-21(30(22)4)26-20(3)8-7-13-28-26/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 [2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 462.64 g/mol, XLogP of 3.96, 5 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-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 146555208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).