N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H21N5O — CID 119405435

IUPACN-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCCCN)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H21N5O/c1-2-23-17-15(12-21-23)14(18(24)20-10-6-9-19)11-16(22-17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10,19H2,1H3,(H,20,24)
InChIKeyICVNMEDHHDONBW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.20
Rot. Bonds6

About N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119405435) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119405435
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCCCN)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H21N5O/c1-2-23-17-15(12-21-23)14(18(24)20-10-6-9-19)11-16(22-17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10,19H2,1H3,(H,20,24)
InChIKeyICVNMEDHHDONBW-UHFFFAOYSA-N
XLogP2.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486953
1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801954
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 119362192
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43039567

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119405435) is N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NCCCN)cc(-c3ccccc3)nc21.
What is the InChIKey of N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ICVNMEDHHDONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-23-17-15(12-21-23)14(18(24)20-10-6-9-19)11-16(22-17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10,19H2,1H3,(H,20,24).
What are the key properties of N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119405435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).