2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol

C22H20FN5O — CID 69350240

IUPAC2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28)
InChIKeyYXAUPKOMPKJJJQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol

2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol (PubChem CID 69350240) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
PubChem CID69350240
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28)
InChIKeyYXAUPKOMPKJJJQ-UHFFFAOYSA-N
XLogP4.27
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol (CID 69350240) is 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ncc(C(C)(C)O)cn3)c2)n1.
What is the InChIKey of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is YXAUPKOMPKJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-5-4-6-19(27-13)20-17(12-26-28-20)14-7-8-18(23)16(9-14)21-24-10-15(11-25-21)22(2,3)29/h4-12,29H,1-3H3,(H,26,28).
What are the key properties of 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol?
2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 389.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 69350240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).