4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol

C21H19FN4O2 — CID 177379797

IUPAC4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(O)cc4)ccnc23)cc1F
InChIInChI=1S/C21H19FN4O2/c1-13-20(15-5-8-18(28-2)17(22)11-15)21-23-10-9-19(26(21)25-13)24-12-14-3-6-16(27)7-4-14/h3-11,24,27H,12H2,1-2H3
InChIKeyHAOBGQZVIMREGU-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.17
Rot. Bonds5

About 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol

4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol (PubChem CID 177379797) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol
PubChem CID177379797
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(O)cc4)ccnc23)cc1F
InChIInChI=1S/C21H19FN4O2/c1-13-20(15-5-8-18(28-2)17(22)11-15)21-23-10-9-19(26(21)25-13)24-12-14-3-6-16(27)7-4-14/h3-11,24,27H,12H2,1-2H3
InChIKeyHAOBGQZVIMREGU-UHFFFAOYSA-N
XLogP4.17
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
ML303
CID 136141525
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol (CID 177379797) is 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol is COc1ccc(-c2c(C)nn3c(NCc4ccc(O)cc4)ccnc23)cc1F.
What is the InChIKey of 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol?
The InChIKey is HAOBGQZVIMREGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-20(15-5-8-18(28-2)17(22)11-15)21-23-10-9-19(26(21)25-13)24-12-14-3-6-16(27)7-4-14/h3-11,24,27H,12H2,1-2H3.
What are the key properties of 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol?
4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol has a molecular weight of 378.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-fluoro-4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenol is sourced from PubChem (CID 177379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).