(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C18H15F4N3O — CID 134139925

IUPAC(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1)C(F)(F)F
InChIInChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1
InChIKeyOWGUKRPUVVBJPH-KRWDZBQOSA-N
MW365.33 g/mol
LogP4.18
Rot. Bonds3

About (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 134139925) has the molecular formula C18H15F4N3O and a molecular weight of 365.33 g/mol. Its IUPAC name is (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID134139925
Molecular FormulaC18H15F4N3O
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC Name(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1)C(F)(F)F
InChIInChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1
InChIKeyOWGUKRPUVVBJPH-KRWDZBQOSA-N
XLogP4.18
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 134139925) is (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1cncc(-c2nc3ccc(F)cn3c2C2CC2)c1)C(F)(F)F.
What is the InChIKey of (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OWGUKRPUVVBJPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 365.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 134139925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).