N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide

C31H46N4O — CID 108730069

IUPACN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C31H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(36)33-27-24-29-26(2)34-35(31(29)32-25-27)28-21-18-17-19-22-28/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,33,36)
InChIKeyYULMFLQBFMDVCV-UHFFFAOYSA-N
MW490.74 g/mol
LogP8.93
Rot. Bonds18

About N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide (PubChem CID 108730069) has the molecular formula C31H46N4O and a molecular weight of 490.74 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
PubChem CID108730069
Molecular FormulaC31H46N4O
Molecular Weight490.74 g/mol
Exact Mass490.37
IUPAC NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C31H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(36)33-27-24-29-26(2)34-35(31(29)32-25-27)28-21-18-17-19-22-28/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,33,36)
InChIKeyYULMFLQBFMDVCV-UHFFFAOYSA-N
XLogP8.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
CID 108753826
4-(4-tert-butylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753823
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide
CID 108780973
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
CID 108753739
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide (CID 108730069) is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide?
The InChIKey is YULMFLQBFMDVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(36)33-27-24-29-26(2)34-35(31(29)32-25-27)28-21-18-17-19-22-28/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,33,36).
What are the key properties of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide?
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide has a molecular weight of 490.74 g/mol, XLogP of 8.93, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide is sourced from PubChem (CID 108730069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).