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

C24H22FN7O — CID 58824424

IUPAC[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1n[nH]c(C)c1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H22FN7O/c1-14-19(15(2)31-30-14)12-27-24-26-9-7-20(28-24)23-22(17-3-5-18(25)6-4-17)29-21-11-16(13-33)8-10-32(21)23/h3-11,33H,12-13H2,1-2H3,(H,30,31)(H,26,27,28)
InChIKeyXRDCBPUPMNTGKL-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.04
Rot. Bonds6

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

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824424) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824424
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1n[nH]c(C)c1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H22FN7O/c1-14-19(15(2)31-30-14)12-27-24-26-9-7-20(28-24)23-22(17-3-5-18(25)6-4-17)29-21-11-16(13-33)8-10-32(21)23/h3-11,33H,12-13H2,1-2H3,(H,30,31)(H,26,27,28)
InChIKeyXRDCBPUPMNTGKL-UHFFFAOYSA-N
XLogP4.04
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]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-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824424) is [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is Cc1n[nH]c(C)c1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is XRDCBPUPMNTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-14-19(15(2)31-30-14)12-27-24-26-9-7-20(28-24)23-22(17-3-5-18(25)6-4-17)29-21-11-16(13-33)8-10-32(21)23/h3-11,33H,12-13H2,1-2H3,(H,30,31)(H,26,27,28).
What are the key properties of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 443.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).