[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

C25H24FN7O — CID 58824287

IUPAC[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1n[nH]c(C)c1C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C25H24FN7O/c1-14(22-15(2)31-32-16(22)3)28-25-27-10-8-20(29-25)24-23(18-4-6-19(26)7-5-18)30-21-12-17(13-34)9-11-33(21)24/h4-12,14,34H,13H2,1-3H3,(H,31,32)(H,27,28,29)
InChIKeyYSXCVRJGSDDOKX-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.60
Rot. Bonds6

About [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824287) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824287
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1n[nH]c(C)c1C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C25H24FN7O/c1-14(22-15(2)31-32-16(22)3)28-25-27-10-8-20(29-25)24-23(18-4-6-19(26)7-5-18)30-21-12-17(13-34)9-11-33(21)24/h4-12,14,34H,13H2,1-3H3,(H,31,32)(H,27,28,29)
InChIKeyYSXCVRJGSDDOKX-UHFFFAOYSA-N
XLogP4.60
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-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 [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824287) is [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is Cc1n[nH]c(C)c1C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is YSXCVRJGSDDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-14(22-15(2)31-32-16(22)3)28-25-27-10-8-20(29-25)24-23(18-4-6-19(26)7-5-18)30-21-12-17(13-34)9-11-33(21)24/h4-12,14,34H,13H2,1-3H3,(H,31,32)(H,27,28,29).
What are the key properties of [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 457.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).