(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol

C20H23F4N7O2 — CID 90183658

IUPAC(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
SMILESC[C@@H](O)c1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1[C@H](C)C(F)(F)F
InChIInChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1
InChIKeyORCJXEWMAFCVBL-BLTAXRJOSA-N
MW469.44 g/mol
LogP3.05
Rot. Bonds5

About (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol

(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 90183658) has the molecular formula C20H23F4N7O2 and a molecular weight of 469.44 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
PubChem CID90183658
Molecular FormulaC20H23F4N7O2
Molecular Weight469.44 g/mol
Exact Mass469.18
IUPAC Name(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
SMILESC[C@@H](O)c1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1[C@H](C)C(F)(F)F
InChIInChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1
InChIKeyORCJXEWMAFCVBL-BLTAXRJOSA-N
XLogP3.05
TPSA112.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol (CID 90183658) is (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol is C[C@@H](O)c1nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc2n1[C@H](C)C(F)(F)F.
What is the InChIKey of (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is ORCJXEWMAFCVBL-BLTAXRJOSA-N. The full InChI is InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?
(3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 469.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 90183658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).