6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C28H29FN4O4 — CID 118059355

IUPAC6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2F)nc2c1c(C)nn2C1CCCCO1
InChIInChI=1S/C28H29FN4O4/c1-18-26-22(28(34)30-17-35-2)15-24(31-27(26)33(32-18)25-10-6-7-13-36-25)21-12-11-20(14-23(21)29)37-16-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,25H,6-7,10,13,16-17H2,1-2H3,(H,30,34)
InChIKeyZGGQVFUIXCIOPN-UHFFFAOYSA-N
MW504.56 g/mol
LogP5.16
Rot. Bonds8

About 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118059355) has the molecular formula C28H29FN4O4 and a molecular weight of 504.56 g/mol. Its IUPAC name is 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID118059355
Molecular FormulaC28H29FN4O4
Molecular Weight504.56 g/mol
Exact Mass504.22
IUPAC Name6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2F)nc2c1c(C)nn2C1CCCCO1
InChIInChI=1S/C28H29FN4O4/c1-18-26-22(28(34)30-17-35-2)15-24(31-27(26)33(32-18)25-10-6-7-13-36-25)21-12-11-20(14-23(21)29)37-16-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,25H,6-7,10,13,16-17H2,1-2H3,(H,30,34)
InChIKeyZGGQVFUIXCIOPN-UHFFFAOYSA-N
XLogP5.16
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461738
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
1-[(3S)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461683
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 35186695
N-tert-butyl-6-[5-fluoro-4-phenylmethoxy-2-(2,2,2-trifluoroethyl)phenyl]-4-[[5-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118512544
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
N-cyclopentyl-1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42111445
benzyl N-[[3-[3-iodo-5-methyl-1-(oxan-2-yl)-4-oxopyrazolo[5,4-d]pyrimidin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 164850781
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 118059355) is 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is COCNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2F)nc2c1c(C)nn2C1CCCCO1.
What is the InChIKey of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZGGQVFUIXCIOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O4/c1-18-26-22(28(34)30-17-35-2)15-24(31-27(26)33(32-18)25-10-6-7-13-36-25)21-12-11-20(14-23(21)29)37-16-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,25H,6-7,10,13,16-17H2,1-2H3,(H,30,34).
What are the key properties of 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 504.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-phenylmethoxyphenyl)-N-(methoxymethyl)-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118059355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).