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

C9H11N5S — CID 1477620

IUPAC(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea
SMILESCc1cc(C)c2c(NC(N)=S)n[nH]c2n1
InChIInChI=1S/C9H11N5S/c1-4-3-5(2)11-7-6(4)8(14-13-7)12-9(10)15/h3H,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyYXLQBDKPNQXRAM-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.23
Rot. Bonds1

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

(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea (PubChem CID 1477620) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea.

Molecular Properties

Compound Name(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea
PubChem CID1477620
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea
SMILESCc1cc(C)c2c(NC(N)=S)n[nH]c2n1
InChIInChI=1S/C9H11N5S/c1-4-3-5(2)11-7-6(4)8(14-13-7)12-9(10)15/h3H,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyYXLQBDKPNQXRAM-UHFFFAOYSA-N
XLogP1.23
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.23
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 (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea?
The IUPAC name of (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea (CID 1477620) is (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea.
What is the SMILES notation for (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea?
The canonical SMILES for (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea is Cc1cc(C)c2c(NC(N)=S)n[nH]c2n1.
What is the InChIKey of (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea?
The InChIKey is YXLQBDKPNQXRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-4-3-5(2)11-7-6(4)8(14-13-7)12-9(10)15/h3H,1-2H3,(H4,10,11,12,13,14,15).
What are the key properties of (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea?
(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea has a molecular weight of 221.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)thiourea is sourced from PubChem (CID 1477620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).