2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol

C16H16FN5OS — CID 123969405

IUPAC2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H16FN5OS/c17-11-8-18-16(13-4-3-10(24-13)5-6-23)20-15(11)19-14-7-12(21-22-14)9-1-2-9/h3-4,7-9,23H,1-2,5-6H2,(H2,18,19,20,21,22)
InChIKeyILBFXWBPXBBPGP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.22
Rot. Bonds6

About 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol

2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol (PubChem CID 123969405) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol
PubChem CID123969405
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H16FN5OS/c17-11-8-18-16(13-4-3-10(24-13)5-6-23)20-15(11)19-14-7-12(21-22-14)9-1-2-9/h3-4,7-9,23H,1-2,5-6H2,(H2,18,19,20,21,22)
InChIKeyILBFXWBPXBBPGP-UHFFFAOYSA-N
XLogP3.22
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol 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 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol (CID 123969405) is 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol is OCCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol?
The InChIKey is ILBFXWBPXBBPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c17-11-8-18-16(13-4-3-10(24-13)5-6-23)20-15(11)19-14-7-12(21-22-14)9-1-2-9/h3-4,7-9,23H,1-2,5-6H2,(H2,18,19,20,21,22).
What are the key properties of 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol?
2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol has a molecular weight of 345.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol is sourced from PubChem (CID 123969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).