1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

C24H24FN5O — CID 58677846

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCC(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1
InChIInChI=1S/C24H24FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-3,5-6,9-11,13-14,16,19H,4,7-8,12,15H2,1H3/t16?,19-/m1/s1
InChIKeyBHTALJGMWZDCMP-LRTDYKAYSA-N
MW417.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 58677846) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID58677846
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCO[C@@H]1CCCC(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1
InChIInChI=1S/C24H24FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-3,5-6,9-11,13-14,16,19H,4,7-8,12,15H2,1H3/t16?,19-/m1/s1
InChIKeyBHTALJGMWZDCMP-LRTDYKAYSA-N
XLogP4.75
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 58677846) is 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is CO[C@@H]1CCCC(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is BHTALJGMWZDCMP-LRTDYKAYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-31-19-8-4-7-16(12-19)18-13-27-23(28-14-18)22-20-9-5-11-26-24(20)30(29-22)15-17-6-2-3-10-21(17)25/h2-3,5-6,9-11,13-14,16,19H,4,7-8,12,15H2,1H3/t16?,19-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 417.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-[(3R)-3-methoxycyclohexyl]pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58677846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).