[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone

C23H19FN4O2 — CID 167909704

IUPAC[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)N1CC(O)C1
InChIInChI=1S/C23H19FN4O2/c24-17-8-4-5-15(9-17)12-28-22-20(11-25-28)19(23(30)27-13-18(29)14-27)10-21(26-22)16-6-2-1-3-7-16/h1-11,18,29H,12-14H2
InChIKeyRQCSPAAKKXBXSE-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.10
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone

[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 167909704) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID167909704
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)N1CC(O)C1
InChIInChI=1S/C23H19FN4O2/c24-17-8-4-5-15(9-17)12-28-22-20(11-25-28)19(23(30)27-13-18(29)14-27)10-21(26-22)16-6-2-1-3-7-16/h1-11,18,29H,12-14H2
InChIKeyRQCSPAAKKXBXSE-UHFFFAOYSA-N
XLogP3.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55780936
N'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 26586837
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56503924
1-[(3-fluorophenyl)methyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27743291
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167862830
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55858160
(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55554031
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 167909704) is [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)N1CC(O)C1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is RQCSPAAKKXBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-8-4-5-15(9-17)12-28-22-20(11-25-28)19(23(30)27-13-18(29)14-27)10-21(26-22)16-6-2-1-3-7-16/h1-11,18,29H,12-14H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone?
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 402.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 167909704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).