1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea

C24H26N8OS — CID 19588616

IUPAC1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
SMILESCc1ccc(Cn2cc(NC(=S)NNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cn2)cc1
InChIInChI=1S/C24H26N8OS/c1-14-4-6-16(7-5-14)12-32-13-18(11-25-32)26-24(34)29-28-23(33)19-10-20(17-8-9-17)27-22-21(19)15(2)30-31(22)3/h4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,28,33)(H2,26,29,34)
InChIKeyLCOZQITWAFUPKE-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.34
Rot. Bonds5

About 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea

1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea (PubChem CID 19588616) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea.

Molecular Properties

Compound Name1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
PubChem CID19588616
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
SMILESCc1ccc(Cn2cc(NC(=S)NNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cn2)cc1
InChIInChI=1S/C24H26N8OS/c1-14-4-6-16(7-5-14)12-32-13-18(11-25-32)26-24(34)29-28-23(33)19-10-20(17-8-9-17)27-22-21(19)15(2)30-31(22)3/h4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,28,33)(H2,26,29,34)
InChIKeyLCOZQITWAFUPKE-UHFFFAOYSA-N
XLogP3.34
TPSA101.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19588520
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588545
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588358
1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588360
1-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiourea
CID 19588560
N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026552
6-cyclopropyl-1,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19496010
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026048
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
CID 19588511
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19334352

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The IUPAC name of 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea (CID 19588616) is 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea.
What is the SMILES notation for 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The canonical SMILES for 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea is Cc1ccc(Cn2cc(NC(=S)NNC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cn2)cc1.
What is the InChIKey of 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea?
The InChIKey is LCOZQITWAFUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-14-4-6-16(7-5-14)12-32-13-18(11-25-32)26-24(34)29-28-23(33)19-10-20(17-8-9-17)27-22-21(19)15(2)30-31(22)3/h4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,28,33)(H2,26,29,34).
What are the key properties of 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea?
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea has a molecular weight of 474.59 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea is sourced from PubChem (CID 19588616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).