N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H22N4O2 — CID 134803943

IUPACN-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCc4ccccc43)c3cnn(C)c3n2)cc1
InChIInChI=1S/C24H22N4O2/c1-28-23-20(14-25-28)19(13-22(26-23)16-7-10-17(30-2)11-8-16)24(29)27-21-12-9-15-5-3-4-6-18(15)21/h3-8,10-11,13-14,21H,9,12H2,1-2H3,(H,27,29)
InChIKeySMUMVIHESRXQQE-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.06
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803943) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803943
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCc4ccccc43)c3cnn(C)c3n2)cc1
InChIInChI=1S/C24H22N4O2/c1-28-23-20(14-25-28)19(13-22(26-23)16-7-10-17(30-2)11-8-16)24(29)27-21-12-9-15-5-3-4-6-18(15)21/h3-8,10-11,13-14,21H,9,12H2,1-2H3,(H,27,29)
InChIKeySMUMVIHESRXQQE-UHFFFAOYSA-N
XLogP4.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803943) is N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCc4ccccc43)c3cnn(C)c3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SMUMVIHESRXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28-23-20(14-25-28)19(13-22(26-23)16-7-10-17(30-2)11-8-16)24(29)27-21-12-9-15-5-3-4-6-18(15)21/h3-8,10-11,13-14,21H,9,12H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).