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

C25H29F3N8O — CID 156525052

IUPAC(3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCc1cn2cc(CNc3cc(NC[C@H]4CCNC[C@@H]4O)nc4c(C5CC5)cnn34)nc2cc1C(F)(F)F
InChIInChI=1S/C25H29F3N8O/c1-14-12-35-13-17(33-23(35)6-19(14)25(26,27)28)9-31-22-7-21(30-8-16-4-5-29-11-20(16)37)34-24-18(15-2-3-15)10-32-36(22)24/h6-7,10,12-13,15-16,20,29,31,37H,2-5,8-9,11H2,1H3,(H,30,34)/t16-,20+/m1/s1
InChIKeyMPOQXAVMLPMUOR-UZLBHIALSA-N
MW514.56 g/mol
LogP3.58
Rot. Bonds7

About (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525052) has the molecular formula C25H29F3N8O and a molecular weight of 514.56 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID156525052
Molecular FormulaC25H29F3N8O
Molecular Weight514.56 g/mol
Exact Mass514.24
IUPAC Name(3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCc1cn2cc(CNc3cc(NC[C@H]4CCNC[C@@H]4O)nc4c(C5CC5)cnn34)nc2cc1C(F)(F)F
InChIInChI=1S/C25H29F3N8O/c1-14-12-35-13-17(33-23(35)6-19(14)25(26,27)28)9-31-22-7-21(30-8-16-4-5-29-11-20(16)37)34-24-18(15-2-3-15)10-32-36(22)24/h6-7,10,12-13,15-16,20,29,31,37H,2-5,8-9,11H2,1H3,(H,30,34)/t16-,20+/m1/s1
InChIKeyMPOQXAVMLPMUOR-UZLBHIALSA-N
XLogP3.58
TPSA103.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525052) is (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is Cc1cn2cc(CNc3cc(NC[C@H]4CCNC[C@@H]4O)nc4c(C5CC5)cnn34)nc2cc1C(F)(F)F.
What is the InChIKey of (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is MPOQXAVMLPMUOR-UZLBHIALSA-N. The full InChI is InChI=1S/C25H29F3N8O/c1-14-12-35-13-17(33-23(35)6-19(14)25(26,27)28)9-31-22-7-21(30-8-16-4-5-29-11-20(16)37)34-24-18(15-2-3-15)10-32-36(22)24/h6-7,10,12-13,15-16,20,29,31,37H,2-5,8-9,11H2,1H3,(H,30,34)/t16-,20+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-cyclopropyl-7-[[6-methyl-7-(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-cyclopropyl-7-[[6-methyl-7-(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 514.56 g/mol, XLogP of 3.58, 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-cyclopropyl-7-[[6-methyl-7-(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 156525052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).