[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol

C25H25ClFN5O — CID 138474227

IUPAC[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol
SMILESCN1CCC(NC(O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cn23)CC1
InChIInChI=1S/C25H25ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-4-16(15-32(22)23)19-3-2-10-28-24(19)20-13-17(26)5-6-21(20)27/h2-7,10,13-15,18,25,30,33H,8-9,11-12H2,1H3
InChIKeyIGKVVAHERODVHX-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.53
Rot. Bonds5

About [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol

[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol (PubChem CID 138474227) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol.

Molecular Properties

Compound Name[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol
PubChem CID138474227
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol
SMILESCN1CCC(NC(O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cn23)CC1
InChIInChI=1S/C25H25ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-4-16(15-32(22)23)19-3-2-10-28-24(19)20-13-17(26)5-6-21(20)27/h2-7,10,13-15,18,25,30,33H,8-9,11-12H2,1H3
InChIKeyIGKVVAHERODVHX-UHFFFAOYSA-N
XLogP4.53
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol?
The IUPAC name of [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol (CID 138474227) is [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol.
What is the SMILES notation for [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol?
The canonical SMILES for [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol is CN1CCC(NC(O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cn23)CC1.
What is the InChIKey of [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol?
The InChIKey is IGKVVAHERODVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-4-16(15-32(22)23)19-3-2-10-28-24(19)20-13-17(26)5-6-21(20)27/h2-7,10,13-15,18,25,30,33H,8-9,11-12H2,1H3.
What are the key properties of [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol?
[6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol has a molecular weight of 465.96 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-[(1-methylpiperidin-4-yl)amino]methanol is sourced from PubChem (CID 138474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).