[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol

C15H14ClN5OS — CID 50943218

IUPAC[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H14ClN5OS/c16-10-6-17-15(12-4-3-9(7-22)23-12)19-14(10)18-13-5-11(20-21-13)8-1-2-8/h3-6,8,22H,1-2,7H2,(H2,17,18,19,20,21)
InChIKeyYNHHINBIOKXVLC-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.69
Rot. Bonds5

About [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol

[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol (PubChem CID 50943218) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol
PubChem CID50943218
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H14ClN5OS/c16-10-6-17-15(12-4-3-9(7-22)23-12)19-14(10)18-13-5-11(20-21-13)8-1-2-8/h3-6,8,22H,1-2,7H2,(H2,17,18,19,20,21)
InChIKeyYNHHINBIOKXVLC-UHFFFAOYSA-N
XLogP3.69
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol?
The IUPAC name of [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol (CID 50943218) is [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol is OCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol?
The InChIKey is YNHHINBIOKXVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-10-6-17-15(12-4-3-9(7-22)23-12)19-14(10)18-13-5-11(20-21-13)8-1-2-8/h3-6,8,22H,1-2,7H2,(H2,17,18,19,20,21).
What are the key properties of [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol?
[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol has a molecular weight of 347.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 50943218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).