2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol

C19H21FN6O — CID 31224597

IUPAC2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(-c2n[nH]c3c2CN(c2ncc(F)c(NCCO)n2)CC3)cc1
InChIInChI=1S/C19H21FN6O/c1-12-2-4-13(5-3-12)17-14-11-26(8-6-16(14)24-25-17)19-22-10-15(20)18(23-19)21-7-9-27/h2-5,10,27H,6-9,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXWUVNRILUYYNMP-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.28
Rot. Bonds5

About 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol

2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 31224597) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID31224597
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(-c2n[nH]c3c2CN(c2ncc(F)c(NCCO)n2)CC3)cc1
InChIInChI=1S/C19H21FN6O/c1-12-2-4-13(5-3-12)17-14-11-26(8-6-16(14)24-25-17)19-22-10-15(20)18(23-19)21-7-9-27/h2-5,10,27H,6-9,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXWUVNRILUYYNMP-UHFFFAOYSA-N
XLogP2.28
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol (CID 31224597) is 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol is Cc1ccc(-c2n[nH]c3c2CN(c2ncc(F)c(NCCO)n2)CC3)cc1.
What is the InChIKey of 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is XWUVNRILUYYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-12-2-4-13(5-3-12)17-14-11-26(8-6-16(14)24-25-17)19-22-10-15(20)18(23-19)21-7-9-27/h2-5,10,27H,6-9,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 368.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 31224597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).