N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide

C27H24N4O2 — CID 108753826

IUPACN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)CCCOc3ccc4ccccc4c3)cc12
InChIInChI=1S/C27H24N4O2/c1-19-25-17-22(18-28-27(25)31(30-19)23-10-3-2-4-11-23)29-26(32)12-7-15-33-24-14-13-20-8-5-6-9-21(20)16-24/h2-6,8-11,13-14,16-18H,7,12,15H2,1H3,(H,29,32)
InChIKeyCZKUOIXKPUHWMA-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.68
Rot. Bonds7

About N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide (PubChem CID 108753826) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
PubChem CID108753826
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)CCCOc3ccc4ccccc4c3)cc12
InChIInChI=1S/C27H24N4O2/c1-19-25-17-22(18-28-27(25)31(30-19)23-10-3-2-4-11-23)29-26(32)12-7-15-33-24-14-13-20-8-5-6-9-21(20)16-24/h2-6,8-11,13-14,16-18H,7,12,15H2,1H3,(H,29,32)
InChIKeyCZKUOIXKPUHWMA-UHFFFAOYSA-N
XLogP5.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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)octadecanamide
CID 108730069
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
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
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
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
4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 108780976

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide (CID 108753826) is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)CCCOc3ccc4ccccc4c3)cc12.
What is the InChIKey of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide?
The InChIKey is CZKUOIXKPUHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-19-25-17-22(18-28-27(25)31(30-19)23-10-3-2-4-11-23)29-26(32)12-7-15-33-24-14-13-20-8-5-6-9-21(20)16-24/h2-6,8-11,13-14,16-18H,7,12,15H2,1H3,(H,29,32).
What are the key properties of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide?
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide has a molecular weight of 436.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 108753826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).