6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4OS — CID 9392413

IUPAC6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(SCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-10-11-28-17-8-4-15(3)5-9-17/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27)
InChIKeyZRNGYEKPZSZXGN-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.72
Rot. Bonds7

About 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9392413) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9392413
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(SCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-10-11-28-17-8-4-15(3)5-9-17/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27)
InChIKeyZRNGYEKPZSZXGN-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60571985
6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9394148
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41131764
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9209227
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
N-[4-(carbamoylamino)phenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33152940
6-cyclopropyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41439235

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9392413) is 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(SCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZRNGYEKPZSZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-6-7-16)22(27)23-10-11-28-17-8-4-15(3)5-9-17/h4-5,8-9,12-14,16H,6-7,10-11H2,1-3H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9392413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).