(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C23H27F3N8O — CID 156525315

IUPAC(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCCc1cnn2c(NCc3cn4c(C(F)(F)F)cccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C23H27F3N8O/c1-2-14-10-30-34-21(8-19(32-22(14)34)28-9-15-6-7-27-12-17(15)35)29-11-16-13-33-18(23(24,25)26)4-3-5-20(33)31-16/h3-5,8,10,13,15,17,27,29,35H,2,6-7,9,11-12H2,1H3,(H,28,32)/t15-,17+/m1/s1
InChIKeyAXTNZYFHNOPPBL-WBVHZDCISA-N
MW488.52 g/mol
LogP2.95
Rot. Bonds7

About (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525315) has the molecular formula C23H27F3N8O and a molecular weight of 488.52 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID156525315
Molecular FormulaC23H27F3N8O
Molecular Weight488.52 g/mol
Exact Mass488.23
IUPAC Name(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCCc1cnn2c(NCc3cn4c(C(F)(F)F)cccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C23H27F3N8O/c1-2-14-10-30-34-21(8-19(32-22(14)34)28-9-15-6-7-27-12-17(15)35)29-11-16-13-33-18(23(24,25)26)4-3-5-20(33)31-16/h3-5,8,10,13,15,17,27,29,35H,2,6-7,9,11-12H2,1H3,(H,28,32)/t15-,17+/m1/s1
InChIKeyAXTNZYFHNOPPBL-WBVHZDCISA-N
XLogP2.95
TPSA103.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525315) is (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CCc1cnn2c(NCc3cn4c(C(F)(F)F)cccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is AXTNZYFHNOPPBL-WBVHZDCISA-N. The full InChI is InChI=1S/C23H27F3N8O/c1-2-14-10-30-34-21(8-19(32-22(14)34)28-9-15-6-7-27-12-17(15)35)29-11-16-13-33-18(23(24,25)26)4-3-5-20(33)31-16/h3-5,8,10,13,15,17,27,29,35H,2,6-7,9,11-12H2,1H3,(H,28,32)/t15-,17+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 488.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 156525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).