[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C22H21FN6OS — CID 127251268

IUPAC[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1
InChIInChI=1S/C22H21FN6OS/c1-13-19(31-12-25-13)22(30)29-9-8-15(11-29)18-7-6-17-20(27-28-21(17)26-18)24-10-14-2-4-16(23)5-3-14/h2-7,12,15H,8-11H2,1H3,(H2,24,26,27,28)
InChIKeyLPQMOBYDFAVJNL-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.10
Rot. Bonds5

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

[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 127251268) has the molecular formula C22H21FN6OS and a molecular weight of 436.52 g/mol. Its IUPAC name is [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID127251268
Molecular FormulaC22H21FN6OS
Molecular Weight436.52 g/mol
Exact Mass436.15
IUPAC Name[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1
InChIInChI=1S/C22H21FN6OS/c1-13-19(31-12-25-13)22(30)29-9-8-15(11-29)18-7-6-17-20(27-28-21(17)26-18)24-10-14-2-4-16(23)5-3-14/h2-7,12,15H,8-11H2,1H3,(H2,24,26,27,28)
InChIKeyLPQMOBYDFAVJNL-UHFFFAOYSA-N
XLogP4.10
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 127251246
[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 127251228
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
[3-(4-fluorophenyl)azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 121146323
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
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
[(3S)-3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95831633
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
[(3S)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95831637
[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110266569
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

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [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) is [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC(c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1.
What is the InChIKey of [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LPQMOBYDFAVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6OS/c1-13-19(31-12-25-13)22(30)29-9-8-15(11-29)18-7-6-17-20(27-28-21(17)26-18)24-10-14-2-4-16(23)5-3-14/h2-7,12,15H,8-11H2,1H3,(H2,24,26,27,28).
What are the key properties of [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 436.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 127251268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).