(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C24H26ClF3N8O — CID 156525314

IUPAC(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C24H26ClF3N8O/c25-18-5-15(24(26,27)28)11-35-12-16(33-23(18)35)8-31-21-6-20(30-7-14-3-4-29-10-19(14)37)34-22-17(13-1-2-13)9-32-36(21)22/h5-6,9,11-14,19,29,31,37H,1-4,7-8,10H2,(H,30,34)/t14-,19+/m1/s1
InChIKeyBJFTYNLKNQNSGN-KUHUBIRLSA-N
MW534.97 g/mol
LogP3.92
Rot. Bonds7

About (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525314) has the molecular formula C24H26ClF3N8O and a molecular weight of 534.97 g/mol. Its IUPAC name is (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID156525314
Molecular FormulaC24H26ClF3N8O
Molecular Weight534.97 g/mol
Exact Mass534.19
IUPAC Name(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C24H26ClF3N8O/c25-18-5-15(24(26,27)28)11-35-12-16(33-23(18)35)8-31-21-6-20(30-7-14-3-4-29-10-19(14)37)34-22-17(13-1-2-13)9-32-36(21)22/h5-6,9,11-14,19,29,31,37H,1-4,7-8,10H2,(H,30,34)/t14-,19+/m1/s1
InChIKeyBJFTYNLKNQNSGN-KUHUBIRLSA-N
XLogP3.92
TPSA103.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.97
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[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-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525314) is (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)n2ncc(C3CC3)c2n1.
What is the InChIKey of (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is BJFTYNLKNQNSGN-KUHUBIRLSA-N. The full InChI is InChI=1S/C24H26ClF3N8O/c25-18-5-15(24(26,27)28)11-35-12-16(33-23(18)35)8-31-21-6-20(30-7-14-3-4-29-10-19(14)37)34-22-17(13-1-2-13)9-32-36(21)22/h5-6,9,11-14,19,29,31,37H,1-4,7-8,10H2,(H,30,34)/t14-,19+/m1/s1.
What are the key properties of (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 534.97 g/mol, XLogP of 3.92, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[7-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 156525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).