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

C24H29F3N8O — CID 156525048

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3R,4R)-4-[[[3-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3nc4ccccn4c3C(F)(F)F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C24H29F3N8O/c1-14(2)16-11-31-35-21(9-19(33-23(16)35)29-10-15-6-7-28-13-18(15)36)30-12-17-22(24(25,26)27)34-8-4-3-5-20(34)32-17/h3-5,8-9,11,14-15,18,28,30,36H,6-7,10,12-13H2,1-2H3,(H,29,33)/t15-,18+/m1/s1
InChIKeyOJMDASWRIMYSTE-QAPCUYQASA-N
MW502.55 g/mol
LogP3.51
Rot. Bonds7

About (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525048) has the molecular formula C24H29F3N8O and a molecular weight of 502.55 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID156525048
Molecular FormulaC24H29F3N8O
Molecular Weight502.55 g/mol
Exact Mass502.24
IUPAC Name(3R,4R)-4-[[[3-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3nc4ccccn4c3C(F)(F)F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C24H29F3N8O/c1-14(2)16-11-31-35-21(9-19(33-23(16)35)29-10-15-6-7-28-13-18(15)36)30-12-17-22(24(25,26)27)34-8-4-3-5-20(34)32-17/h3-5,8-9,11,14-15,18,28,30,36H,6-7,10,12-13H2,1-2H3,(H,29,33)/t15-,18+/m1/s1
InChIKeyOJMDASWRIMYSTE-QAPCUYQASA-N
XLogP3.51
TPSA103.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525048) is (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CC(C)c1cnn2c(NCc3nc4ccccn4c3C(F)(F)F)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is OJMDASWRIMYSTE-QAPCUYQASA-N. The full InChI is InChI=1S/C24H29F3N8O/c1-14(2)16-11-31-35-21(9-19(33-23(16)35)29-10-15-6-7-28-13-18(15)36)30-12-17-22(24(25,26)27)34-8-4-3-5-20(34)32-17/h3-5,8-9,11,14-15,18,28,30,36H,6-7,10,12-13H2,1-2H3,(H,29,33)/t15-,18+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-propan-2-yl-7-[[3-(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-propan-2-yl-7-[[3-(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 502.55 g/mol, XLogP of 3.51, 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-propan-2-yl-7-[[3-(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 156525048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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