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

C26H35N5O — CID 146556043

IUPAC(S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2[C@@H](O)C2CCN(C)CC2)N1C
InChIInChI=1S/C26H35N5O/c1-18-8-7-14-27-23(18)20-9-6-10-21(30(20)3)24-25(31-15-5-4-11-22(31)28-24)26(32)19-12-16-29(2)17-13-19/h4-5,7-8,11,14-15,19-21,26,32H,6,9-10,12-13,16-17H2,1-3H3/t20-,21+,26-/m0/s1
InChIKeyJLLVUJIDGRSUNK-UZINWLIJSA-N
MW433.60 g/mol
LogP4.31
Rot. Bonds4

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

(S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol (PubChem CID 146556043) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol
PubChem CID146556043
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name(S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2[C@@H](O)C2CCN(C)CC2)N1C
InChIInChI=1S/C26H35N5O/c1-18-8-7-14-27-23(18)20-9-6-10-21(30(20)3)24-25(31-15-5-4-11-22(31)28-24)26(32)19-12-16-29(2)17-13-19/h4-5,7-8,11,14-15,19-21,26,32H,6,9-10,12-13,16-17H2,1-3H3/t20-,21+,26-/m0/s1
InChIKeyJLLVUJIDGRSUNK-UZINWLIJSA-N
XLogP4.31
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-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 (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol (CID 146556043) is (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2[C@@H](O)C2CCN(C)CC2)N1C.
What is the InChIKey of (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol?
The InChIKey is JLLVUJIDGRSUNK-UZINWLIJSA-N. The full InChI is InChI=1S/C26H35N5O/c1-18-8-7-14-27-23(18)20-9-6-10-21(30(20)3)24-25(31-15-5-4-11-22(31)28-24)26(32)19-12-16-29(2)17-13-19/h4-5,7-8,11,14-15,19-21,26,32H,6,9-10,12-13,16-17H2,1-3H3/t20-,21+,26-/m0/s1.
What are the key properties of (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol?
(S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol has a molecular weight of 433.60 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 146556043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).