1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea

C15H15N5S — CID 2060565

IUPAC1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea
SMILESCc1cc(C)c2c(NC(=S)Nc3ccccc3)n[nH]c2n1
InChIInChI=1S/C15H15N5S/c1-9-8-10(2)16-13-12(9)14(20-19-13)18-15(21)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyKEGHRSSYBXOYFC-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.38
Rot. Bonds2

About 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea

1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea (PubChem CID 2060565) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea
PubChem CID2060565
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea
SMILESCc1cc(C)c2c(NC(=S)Nc3ccccc3)n[nH]c2n1
InChIInChI=1S/C15H15N5S/c1-9-8-10(2)16-13-12(9)14(20-19-13)18-15(21)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyKEGHRSSYBXOYFC-UHFFFAOYSA-N
XLogP3.38
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea?
The IUPAC name of 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea (CID 2060565) is 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea.
What is the SMILES notation for 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea?
The canonical SMILES for 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea is Cc1cc(C)c2c(NC(=S)Nc3ccccc3)n[nH]c2n1.
What is the InChIKey of 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea?
The InChIKey is KEGHRSSYBXOYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-9-8-10(2)16-13-12(9)14(20-19-13)18-15(21)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea?
1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea has a molecular weight of 297.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-3-phenylthiourea is sourced from PubChem (CID 2060565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).