1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea

C17H22N6OS — CID 19588511

IUPAC1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C17H22N6OS/c1-3-18-17(25)21-20-16(24)11-8-12(9-4-5-9)19-15-13(11)14(10-6-7-10)22-23(15)2/h8-10H,3-7H2,1-2H3,(H,20,24)(H2,18,21,25)
InChIKeyLHGYHPWMVDFRMC-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.85
Rot. Bonds4

About 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea

1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea (PubChem CID 19588511) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
PubChem CID19588511
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C17H22N6OS/c1-3-18-17(25)21-20-16(24)11-8-12(9-4-5-9)19-15-13(11)14(10-6-7-10)22-23(15)2/h8-10H,3-7H2,1-2H3,(H,20,24)(H2,18,21,25)
InChIKeyLHGYHPWMVDFRMC-UHFFFAOYSA-N
XLogP1.85
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-(2-methoxyethyl)thiourea
CID 19588443
3,6-dicyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588428
N,6-dicyclopropyl-1-methyl-3-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 118740506
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19588616
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N,1-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803146
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803967
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803082
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026048

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea?
The IUPAC name of 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea (CID 19588511) is 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea.
What is the SMILES notation for 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea?
The canonical SMILES for 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea is CCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C.
What is the InChIKey of 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea?
The InChIKey is LHGYHPWMVDFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-3-18-17(25)21-20-16(24)11-8-12(9-4-5-9)19-15-13(11)14(10-6-7-10)22-23(15)2/h8-10H,3-7H2,1-2H3,(H,20,24)(H2,18,21,25).
What are the key properties of 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea?
1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea has a molecular weight of 358.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea is sourced from PubChem (CID 19588511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).