1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea

C23H26N6O2S — CID 19588443

IUPAC1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C23H26N6O2S/c1-31-12-11-24-23(32)27-26-22(30)17-13-18(14-7-8-14)25-21-19(17)20(15-9-10-15)28-29(21)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,26,30)(H2,24,27,32)
InChIKeyCIKIQFBIHMXELZ-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.93
Rot. Bonds7

About 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea

1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea (PubChem CID 19588443) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea
PubChem CID19588443
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C23H26N6O2S/c1-31-12-11-24-23(32)27-26-22(30)17-13-18(14-7-8-14)25-21-19(17)20(15-9-10-15)28-29(21)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,26,30)(H2,24,27,32)
InChIKeyCIKIQFBIHMXELZ-UHFFFAOYSA-N
XLogP2.93
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
CID 19588511
(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 19588470
N-[(2R)-butan-2-yl]-3-cyclopropyl-6-ethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51856911
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 19588745
3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19497660
N,6-dicyclopropyl-1-phenyl-3-pyrrolidin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790258
3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19496033
3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25248176
6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852
6-cyclopropyl-N-(2,3-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19616295
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea (CID 19588443) is 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1.
What is the InChIKey of 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea?
The InChIKey is CIKIQFBIHMXELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-31-12-11-24-23(32)27-26-22(30)17-13-18(14-7-8-14)25-21-19(17)20(15-9-10-15)28-29(21)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,26,30)(H2,24,27,32).
What are the key properties of 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea?
1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea has a molecular weight of 450.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19588443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).