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

C27H38N6O — CID 146555361

IUPAC(1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
SMILESCC[C@H](O)c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C27H38N6O/c1-5-22(34)27-26(21-11-6-10-20(31(21)4)25-19(2)9-8-14-28-25)29-23-12-7-13-24(33(23)27)32-17-15-30(3)16-18-32/h7-9,12-14,20-22,34H,5-6,10-11,15-18H2,1-4H3/t20-,21+,22-/m0/s1
InChIKeyFUEVQCOQZWOAQK-BDTNDASRSA-N
MW462.64 g/mol
LogP4.13
Rot. Bonds5

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

(1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol (PubChem CID 146555361) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
PubChem CID146555361
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name(1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol
SMILESCC[C@H](O)c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C27H38N6O/c1-5-22(34)27-26(21-11-6-10-20(31(21)4)25-19(2)9-8-14-28-25)29-23-12-7-13-24(33(23)27)32-17-15-30(3)16-18-32/h7-9,12-14,20-22,34H,5-6,10-11,15-18H2,1-4H3/t20-,21+,22-/m0/s1
InChIKeyFUEVQCOQZWOAQK-BDTNDASRSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol 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 (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol (CID 146555361) is (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol is CC[C@H](O)c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C)CC3)n12.
What is the InChIKey of (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol?
The InChIKey is FUEVQCOQZWOAQK-BDTNDASRSA-N. The full InChI is InChI=1S/C27H38N6O/c1-5-22(34)27-26(21-11-6-10-20(31(21)4)25-19(2)9-8-14-28-25)29-23-12-7-13-24(33(23)27)32-17-15-30(3)16-18-32/h7-9,12-14,20-22,34H,5-6,10-11,15-18H2,1-4H3/t20-,21+,22-/m0/s1.
What are the key properties of (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol?
(1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol has a molecular weight of 462.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 146555361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).