N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O2 — CID 134795854

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)cc1
InChIInChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(12-20(26-21)16-4-3-10-23-13-16)22(28)24-11-9-15-5-7-17(29-2)8-6-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28)
InChIKeyJHJPKHCLPGMDHX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134795854) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134795854
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)cc1
InChIInChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(12-20(26-21)16-4-3-10-23-13-16)22(28)24-11-9-15-5-7-17(29-2)8-6-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28)
InChIKeyJHJPKHCLPGMDHX-UHFFFAOYSA-N
XLogP3.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134795854) is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JHJPKHCLPGMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(12-20(26-21)16-4-3-10-23-13-16)22(28)24-11-9-15-5-7-17(29-2)8-6-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134795854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).