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

C24H22N4O — CID 55493888

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NC3CCc4ccccc43)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H22N4O/c1-2-28-23-20(15-25-28)19(14-22(26-23)17-9-4-3-5-10-17)24(29)27-21-13-12-16-8-6-7-11-18(16)21/h3-11,14-15,21H,2,12-13H2,1H3,(H,27,29)
InChIKeyBEWCZHXKECEYOV-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.54
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55493888) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55493888
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NC3CCc4ccccc43)cc(-c3ccccc3)nc21
InChIInChI=1S/C24H22N4O/c1-2-28-23-20(15-25-28)19(14-22(26-23)17-9-4-3-5-10-17)24(29)27-21-13-12-16-8-6-7-11-18(16)21/h3-11,14-15,21H,2,12-13H2,1H3,(H,27,29)
InChIKeyBEWCZHXKECEYOV-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55493888) is N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NC3CCc4ccccc43)cc(-c3ccccc3)nc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BEWCZHXKECEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-28-23-20(15-25-28)19(14-22(26-23)17-9-4-3-5-10-17)24(29)27-21-13-12-16-8-6-7-11-18(16)21/h3-11,14-15,21H,2,12-13H2,1H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55493888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).