2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol

C23H23F3N4O2 — CID 90182177

IUPAC2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCc1ncc(-c2ccc(C(C)(C)O)nc2)c(OC[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C23H23F3N4O2/c1-13-27-11-18(14-4-7-20(29-9-14)22(2,3)31)21(30-13)32-12-15-8-17(15)19-6-5-16(10-28-19)23(24,25)26/h4-7,9-11,15,17,31H,8,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyPNFODMXEWPLVRZ-WBVHZDCISA-N
MW444.46 g/mol
LogP4.67
Rot. Bonds6

About 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol

2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol (PubChem CID 90182177) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
PubChem CID90182177
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCc1ncc(-c2ccc(C(C)(C)O)nc2)c(OC[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C23H23F3N4O2/c1-13-27-11-18(14-4-7-20(29-9-14)22(2,3)31)21(30-13)32-12-15-8-17(15)19-6-5-16(10-28-19)23(24,25)26/h4-7,9-11,15,17,31H,8,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyPNFODMXEWPLVRZ-WBVHZDCISA-N
XLogP4.67
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol (CID 90182177) is 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol is Cc1ncc(-c2ccc(C(C)(C)O)nc2)c(OC[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is PNFODMXEWPLVRZ-WBVHZDCISA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-13-27-11-18(14-4-7-20(29-9-14)22(2,3)31)21(30-13)32-12-15-8-17(15)19-6-5-16(10-28-19)23(24,25)26/h4-7,9-11,15,17,31H,8,12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol?
2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 444.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methyl-4-[[(1S,2S)-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 90182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).