N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide

C24H23N5O2 — CID 160656274

IUPACN-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
SMILESCNC(=O)c1ccc(CCC(=O)Cc2cc3cnn(-c4ccnc(C)c4)c3cn2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-11-21(9-10-26-16)29-23-15-27-20(12-19(23)14-28-29)13-22(30)8-5-17-3-6-18(7-4-17)24(31)25-2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,25,31)
InChIKeyRLBYCWCZRZXNDU-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.23
Rot. Bonds7

About N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide

N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide (PubChem CID 160656274) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
PubChem CID160656274
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
SMILESCNC(=O)c1ccc(CCC(=O)Cc2cc3cnn(-c4ccnc(C)c4)c3cn2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-11-21(9-10-26-16)29-23-15-27-20(12-19(23)14-28-29)13-22(30)8-5-17-3-6-18(7-4-17)24(31)25-2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,25,31)
InChIKeyRLBYCWCZRZXNDU-UHFFFAOYSA-N
XLogP3.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4R)-1-methyl-4-(3-phenylpropyl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 158224666
(4S)-5-(2-methoxyethoxy)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 158816453
N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 161230175
(4S)-1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-5-morpholin-4-yl-4-phenylpentan-2-one
CID 152790741
1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 162138722
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-4-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 157061257
1-[(3R,4S)-1-methyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 160808802
N-(1-methyl-4-phenylpyrrolidin-3-yl)-2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 159211873
1-[(3S,4R)-4-(4-fluorophenoxy)-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 147419486
2-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-N-[(3S,4R)-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidin-3-yl]acetamide
CID 159397030
N-(pyridin-3-ylmethyl)-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
CID 160831359
1-[(3S,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 130451676

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide?
The IUPAC name of N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide (CID 160656274) is N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide.
What is the SMILES notation for N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide?
The canonical SMILES for N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide is CNC(=O)c1ccc(CCC(=O)Cc2cc3cnn(-c4ccnc(C)c4)c3cn2)cc1.
What is the InChIKey of N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide?
The InChIKey is RLBYCWCZRZXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-11-21(9-10-26-16)29-23-15-27-20(12-19(23)14-28-29)13-22(30)8-5-17-3-6-18(7-4-17)24(31)25-2/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,25,31).
What are the key properties of N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide?
N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide is sourced from PubChem (CID 160656274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).