1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone

C20H22FN5O2 — CID 127251246

IUPAC1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1
InChIInChI=1S/C20H22FN5O2/c1-28-12-18(27)26-9-8-14(11-26)17-7-6-16-19(24-25-20(16)23-17)22-10-13-2-4-15(21)5-3-13/h2-7,14H,8-12H2,1H3,(H2,22,23,24,25)
InChIKeyOJYNCTJOGBFYPV-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.67
Rot. Bonds6

About 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 127251246) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID127251246
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1
InChIInChI=1S/C20H22FN5O2/c1-28-12-18(27)26-9-8-14(11-26)17-7-6-16-19(24-25-20(16)23-17)22-10-13-2-4-15(21)5-3-13/h2-7,14H,8-12H2,1H3,(H2,22,23,24,25)
InChIKeyOJYNCTJOGBFYPV-UHFFFAOYSA-N
XLogP2.67
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 127251228
[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127251268
2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
CID 127251261
3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
CID 127251253
1-[3-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 127251276
4-(4-fluorophenyl)-1-[(3R)-3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]butan-1-one
CID 95834416
2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 110264567
1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 155983950
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
CID 127251248
1-[(2R)-2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124949520
2-(2,6-dimethylphenoxy)-1-[(3S)-3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92630632

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 127251246) is 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1.
What is the InChIKey of 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is OJYNCTJOGBFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-28-12-18(27)26-9-8-14(11-26)17-7-6-16-19(24-25-20(16)23-17)22-10-13-2-4-15(21)5-3-13/h2-7,14H,8-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 383.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 127251246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).