methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate

C26H25FN4O3 — CID 161404464

IUPACmethyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(CC(=O)C[C@H](C)c2ccccc2)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C26H25FN4O3/c1-17(18-6-4-3-5-7-18)12-23(32)14-21-13-19-15-29-31(22-10-8-20(27)9-11-22)25(19)24(30-21)16-28-26(33)34-2/h3-11,13,15,17H,12,14,16H2,1-2H3,(H,28,33)/t17-/m0/s1
InChIKeyVUQSLOQHJCQEQZ-KRWDZBQOSA-N
MW460.51 g/mol
LogP4.72
Rot. Bonds8

About methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate

methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate (PubChem CID 161404464) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate
PubChem CID161404464
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Namemethyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(CC(=O)C[C@H](C)c2ccccc2)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C26H25FN4O3/c1-17(18-6-4-3-5-7-18)12-23(32)14-21-13-19-15-29-31(22-10-8-20(27)9-11-22)25(19)24(30-21)16-28-26(33)34-2/h3-11,13,15,17H,12,14,16H2,1-2H3,(H,28,33)/t17-/m0/s1
InChIKeyVUQSLOQHJCQEQZ-KRWDZBQOSA-N
XLogP4.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate with MolForge

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Related Compounds

(4S)-1-[1-(4-fluorophenyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 160932939
[1-(4-fluorophenyl)-5-[[(1R)-1-phenylethyl]carbamoylamino]pyrazolo[3,4-c]pyridin-7-yl]methylcarbamic acid
CID 130423109
(4S)-1-[1-cyclohexyl-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 159847946
(4S)-1-[1-(cyclopropylmethyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 153269818
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
CID 121416465
tert-butyl N-[[1-(4-fluorophenyl)-5-[[(1R)-1-phenylethyl]carbamoylamino]pyrazolo[3,4-c]pyridin-7-yl]methyl]-N-(2-methoxyethyl)carbamate
CID 130423129
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
1-[1-(4-fluorophenyl)-7-(2-morpholin-4-ylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
CID 121416726
(4S)-1-[3-ethoxy-4-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 160768328

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate?
The IUPAC name of methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate (CID 161404464) is methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate is COC(=O)NCc1nc(CC(=O)C[C@H](C)c2ccccc2)cc2cnn(-c3ccc(F)cc3)c12.
What is the InChIKey of methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate?
The InChIKey is VUQSLOQHJCQEQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-17(18-6-4-3-5-7-18)12-23(32)14-21-13-19-15-29-31(22-10-8-20(27)9-11-22)25(19)24(30-21)16-28-26(33)34-2/h3-11,13,15,17H,12,14,16H2,1-2H3,(H,28,33)/t17-/m0/s1.
What are the key properties of methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate?
methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate has a molecular weight of 460.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-7-yl]methyl]carbamate is sourced from PubChem (CID 161404464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).