1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea

C23H29N7OS — CID 90164335

IUPAC1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea
SMILESS=C(Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C23H29N7OS/c32-23(26-19-3-1-2-4-19)28-22-6-5-20-21(27-22)13-17(14-24-20)18-15-25-30(16-18)8-7-29-9-11-31-12-10-29/h5-6,13-16,19H,1-4,7-12H2,(H2,26,27,28,32)
InChIKeyYGSKJGGMXVYBQA-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea

1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea (PubChem CID 90164335) has the molecular formula C23H29N7OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea
PubChem CID90164335
Molecular FormulaC23H29N7OS
Molecular Weight451.60 g/mol
Exact Mass451.22
IUPAC Name1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea
SMILESS=C(Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1)NC1CCCC1
InChIInChI=1S/C23H29N7OS/c32-23(26-19-3-1-2-4-19)28-22-6-5-20-21(27-22)13-17(14-24-20)18-15-25-30(16-18)8-7-29-9-11-31-12-10-29/h5-6,13-16,19H,1-4,7-12H2,(H2,26,27,28,32)
InChIKeyYGSKJGGMXVYBQA-UHFFFAOYSA-N
XLogP3.05
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea (CID 90164335) is 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea is S=C(Nc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea?
The InChIKey is YGSKJGGMXVYBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7OS/c32-23(26-19-3-1-2-4-19)28-22-6-5-20-21(27-22)13-17(14-24-20)18-15-25-30(16-18)8-7-29-9-11-31-12-10-29/h5-6,13-16,19H,1-4,7-12H2,(H2,26,27,28,32).
What are the key properties of 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea?
1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea has a molecular weight of 451.60 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea is sourced from PubChem (CID 90164335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).