(3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C24H28F3N9O — CID 163641079

About (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

(3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 163641079) has the molecular formula C24H28F3N9O and a molecular weight of 515.54 g/mol. Its IUPAC name is (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
• PubChem CID: 163641079
• Molecular Formula: C24H28F3N9O
• Molecular Weight: 515.54 g/mol
• Exact Mass: 515.24
• IUPAC Name: (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
• SMILES: Cc1c(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)cnn23)c(C(F)(F)F)nn1C1CCNCC1
• InChI: InChI=1S/C24H28F3N9O/c1-14-13-37-10-9-34(14)20-11-19(36-23(31-20)17(12-30-36)18-5-8-29-32-18)21-15(2)35(16-3-6-28-7-4-16)33-22(21)24(25,26)27/h5,8,11-12,14,16,28H,3-4,6-7,9-10,13H2,1-2H3,(H,29,32)/t14-/m1/s1
• InChIKey: IEHQUTUGKOFOCM-CQSZACIVSA-N
• XLogP: 3.46
• TPSA: 101.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.54
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The IUPAC name of (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 163641079) is (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

What is the SMILES notation for (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The canonical SMILES for (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is Cc1c(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)cnn23)c(C(F)(F)F)nn1C1CCNCC1.

What is the InChIKey of (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The InChIKey is IEHQUTUGKOFOCM-CQSZACIVSA-N. The full InChI is InChI=1S/C24H28F3N9O/c1-14-13-37-10-9-34(14)20-11-19(36-23(31-20)17(12-30-36)18-5-8-29-32-18)21-15(2)35(16-3-6-28-7-4-16)33-22(21)24(25,26)27/h5,8,11-12,14,16,28H,3-4,6-7,9-10,13H2,1-2H3,(H,29,32)/t14-/m1/s1.

What are the key properties of (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

(3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 515.54 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-4-[7-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 163641079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).