(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol

C19H20FN5O — CID 72704719

IUPAC(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol
SMILESNc1ncnc2ccc(-c3cc(F)cc(CN4CCC[C@@H](O)C4)c3)nc12
InChIInChI=1S/C19H20FN5O/c20-14-7-12(9-25-5-1-2-15(26)10-25)6-13(8-14)16-3-4-17-18(24-16)19(21)23-11-22-17/h3-4,6-8,11,15,26H,1-2,5,9-10H2,(H2,21,22,23)/t15-/m1/s1
InChIKeyBFVBNWMXJGBWIB-OAHLLOKOSA-N
MW353.40 g/mol
LogP2.37
Rot. Bonds3

About (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol

(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol (PubChem CID 72704719) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol
PubChem CID72704719
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol
SMILESNc1ncnc2ccc(-c3cc(F)cc(CN4CCC[C@@H](O)C4)c3)nc12
InChIInChI=1S/C19H20FN5O/c20-14-7-12(9-25-5-1-2-15(26)10-25)6-13(8-14)16-3-4-17-18(24-16)19(21)23-11-22-17/h3-4,6-8,11,15,26H,1-2,5,9-10H2,(H2,21,22,23)/t15-/m1/s1
InChIKeyBFVBNWMXJGBWIB-OAHLLOKOSA-N
XLogP2.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol (CID 72704719) is (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol is Nc1ncnc2ccc(-c3cc(F)cc(CN4CCC[C@@H](O)C4)c3)nc12.
What is the InChIKey of (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol?
The InChIKey is BFVBNWMXJGBWIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-14-7-12(9-25-5-1-2-15(26)10-25)6-13(8-14)16-3-4-17-18(24-16)19(21)23-11-22-17/h3-4,6-8,11,15,26H,1-2,5,9-10H2,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol?
(3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol has a molecular weight of 353.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 72704719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).