1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H21N5O2 — CID 139904934

IUPAC1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3CC2CC2)c1
InChIInChI=1S/C19H21N5O2/c1-11-16-17(22-13-4-3-5-14(8-13)26-2)15(18(20)25)9-21-19(16)24(23-11)10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyKJLBVECAPPWMSH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.00
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 139904934) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID139904934
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3CC2CC2)c1
InChIInChI=1S/C19H21N5O2/c1-11-16-17(22-13-4-3-5-14(8-13)26-2)15(18(20)25)9-21-19(16)24(23-11)10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyKJLBVECAPPWMSH-UHFFFAOYSA-N
XLogP3.00
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11292588
1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11189006
methyl (3S)-3-[3-[(5-carbamoyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)amino]phenoxy]pyrrolidine-1-carboxylate
CID 10002457
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69252977
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69119423
3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 139904934) is 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KJLBVECAPPWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-16-17(22-13-4-3-5-14(8-13)26-2)15(18(20)25)9-21-19(16)24(23-11)10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 139904934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).