5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine

C19H20FN7O — CID 59528130

IUPAC5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N5CCN(C)CC5)c4cc3F)c2c1
InChIInChI=1S/C19H20FN7O/c1-25-5-7-26(8-6-25)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-4-3-12(28-2)9-16(14)27/h3-4,9-11H,5-8H2,1-2H3,(H,22,23,24)
InChIKeyKFTVMFJCHWIJKQ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.17
Rot. Bonds3

About 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine

5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine (PubChem CID 59528130) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine
PubChem CID59528130
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N5CCN(C)CC5)c4cc3F)c2c1
InChIInChI=1S/C19H20FN7O/c1-25-5-7-26(8-6-25)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-4-3-12(28-2)9-16(14)27/h3-4,9-11H,5-8H2,1-2H3,(H,22,23,24)
InChIKeyKFTVMFJCHWIJKQ-UHFFFAOYSA-N
XLogP2.17
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Migoprotafib
CID 139512018
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760083
Sdccggsk-0000007.P001
CID 9604943
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine (CID 59528130) is 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine is COc1ccn2ncc(-c3nc4[nH]nc(N5CCN(C)CC5)c4cc3F)c2c1.
What is the InChIKey of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is KFTVMFJCHWIJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-25-5-7-26(8-6-25)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-4-3-12(28-2)9-16(14)27/h3-4,9-11H,5-8H2,1-2H3,(H,22,23,24).
What are the key properties of 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 381.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 59528130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).