N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide

C30H28F2N6O4 — CID 146432909

IUPACN-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12
InChIInChI=1S/C30H28F2N6O4/c1-17-13-21(29(40)38(15-17)20-8-5-18(31)6-9-20)28(39)34-19-7-10-23(22(32)14-19)42-24-11-12-33-26-25(24)27(37-36-26)35-30(2,3)16-41-4/h5-15H,16H2,1-4H3,(H,34,39)(H2,33,35,36,37)
InChIKeyRJJMAJHTTDNLFM-UHFFFAOYSA-N
MW574.59 g/mol
LogP5.58
Rot. Bonds9

About N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 146432909) has the molecular formula C30H28F2N6O4 and a molecular weight of 574.59 g/mol. Its IUPAC name is N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID146432909
Molecular FormulaC30H28F2N6O4
Molecular Weight574.59 g/mol
Exact Mass574.21
IUPAC NameN-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12
InChIInChI=1S/C30H28F2N6O4/c1-17-13-21(29(40)38(15-17)20-8-5-18(31)6-9-20)28(39)34-19-7-10-23(22(32)14-19)42-24-11-12-33-26-25(24)27(37-36-26)35-30(2,3)16-41-4/h5-15H,16H2,1-4H3,(H,34,39)(H2,33,35,36,37)
InChIKeyRJJMAJHTTDNLFM-UHFFFAOYSA-N
XLogP5.58
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.59
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (CID 146432909) is N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is COCC(C)(C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c12.
What is the InChIKey of N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is RJJMAJHTTDNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O4/c1-17-13-21(29(40)38(15-17)20-8-5-18(31)6-9-20)28(39)34-19-7-10-23(22(32)14-19)42-24-11-12-33-26-25(24)27(37-36-26)35-30(2,3)16-41-4/h5-15H,16H2,1-4H3,(H,34,39)(H2,33,35,36,37).
What are the key properties of N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 574.59 g/mol, XLogP of 5.58, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 146432909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).