N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine

C19H22FN7O — CID 59528093

IUPACN'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN(C)C)c4cc3F)c2c1
InChIInChI=1S/C19H22FN7O/c1-25(2)7-8-26(3)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-6-5-12(28-4)9-16(14)27/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24)
InChIKeyLFPFEAQQZLWIIU-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.42
Rot. Bonds6

About N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 59528093) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID59528093
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN(C)C)c4cc3F)c2c1
InChIInChI=1S/C19H22FN7O/c1-25(2)7-8-26(3)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-6-5-12(28-4)9-16(14)27/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24)
InChIKeyLFPFEAQQZLWIIU-UHFFFAOYSA-N
XLogP2.42
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 59528093) is N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine is COc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN(C)C)c4cc3F)c2c1.
What is the InChIKey of N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is LFPFEAQQZLWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-25(2)7-8-26(3)19-13-10-15(20)17(22-18(13)23-24-19)14-11-21-27-6-5-12(28-4)9-16(14)27/h5-6,9-11H,7-8H2,1-4H3,(H,22,23,24).
What are the key properties of N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 383.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 59528093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).