2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol

C21H26FN5O2 — CID 169129789

IUPAC2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC(F)C4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26)
InChIKeyWRBUWJGULGIHKP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.74
Rot. Bonds5

About 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 169129789) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID169129789
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC(F)C4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26)
InChIKeyWRBUWJGULGIHKP-UHFFFAOYSA-N
XLogP2.74
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-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 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 169129789) is 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3cccc(NC4CNCC(F)C4)n3)n2cc1C(C)(C)O.
What is the InChIKey of 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is WRBUWJGULGIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 399.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 169129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).