6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine

C21H14FN5O — CID 56598658

IUPAC6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cnc2ccoc2c1
InChIInChI=1S/C21H14FN5O/c22-16-5-2-1-4-14(16)13-27-19(11-18(26-27)21-23-7-3-8-24-21)15-10-20-17(25-12-15)6-9-28-20/h1-12H,13H2
InChIKeyHUMQAKFEUPGJPN-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.34
Rot. Bonds4

About 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine

6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine (PubChem CID 56598658) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine
PubChem CID56598658
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cnc2ccoc2c1
InChIInChI=1S/C21H14FN5O/c22-16-5-2-1-4-14(16)13-27-19(11-18(26-27)21-23-7-3-8-24-21)15-10-20-17(25-12-15)6-9-28-20/h1-12H,13H2
InChIKeyHUMQAKFEUPGJPN-UHFFFAOYSA-N
XLogP4.34
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine?
The IUPAC name of 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine (CID 56598658) is 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine?
The canonical SMILES for 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine is Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1cnc2ccoc2c1.
What is the InChIKey of 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine?
The InChIKey is HUMQAKFEUPGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-16-5-2-1-4-14(16)13-27-19(11-18(26-27)21-23-7-3-8-24-21)15-10-20-17(25-12-15)6-9-28-20/h1-12H,13H2.
What are the key properties of 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine?
6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine has a molecular weight of 371.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 56598658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).