1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine

C24H25FN6O — CID 134328059

IUPAC1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C24H25FN6O/c1-15-10-16(13-26-2)11-18(25)23(15)20-12-17-21(14-27-20)29-30-24(17)19-4-3-5-22(28-19)31-6-8-32-9-7-31/h3-5,10-12,14,26H,6-9,13H2,1-2H3,(H,29,30)
InChIKeyFXCWIQHMNQQSEK-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine

1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 134328059) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID134328059
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C24H25FN6O/c1-15-10-16(13-26-2)11-18(25)23(15)20-12-17-21(14-27-20)29-30-24(17)19-4-3-5-22(28-19)31-6-8-32-9-7-31/h3-5,10-12,14,26H,6-9,13H2,1-2H3,(H,29,30)
InChIKeyFXCWIQHMNQQSEK-UHFFFAOYSA-N
XLogP3.69
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 134328059) is 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1cc(C)c(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is FXCWIQHMNQQSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-15-10-16(13-26-2)11-18(25)23(15)20-12-17-21(14-27-20)29-30-24(17)19-4-3-5-22(28-19)31-6-8-32-9-7-31/h3-5,10-12,14,26H,6-9,13H2,1-2H3,(H,29,30).
What are the key properties of 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 432.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 134328059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).