(3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol

C22H23F3N6O — CID 25032425

About (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol

(3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol (PubChem CID 25032425) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

• Compound Name: (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
• PubChem CID: 25032425
• Molecular Formula: C22H23F3N6O
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.19
• IUPAC Name: (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
• SMILES: Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1
• InChI: InChI=1S/C22H23F3N6O/c1-14-2-5-20(27-10-14)31-8-6-18-16(12-31)21(29-13-28-18)30-17(7-9-32)15-3-4-19(26-11-15)22(23,24)25/h2-5,10-11,13,17,32H,6-9,12H2,1H3,(H,28,29,30)/t17-/m1/s1
• InChIKey: JYXGOVPRQNIYKV-QGZVFWFLSA-N
• XLogP: 3.69
• TPSA: 87.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The IUPAC name of (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol (CID 25032425) is (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

What is the SMILES notation for (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The canonical SMILES for (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol is Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1.

What is the InChIKey of (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

The InChIKey is JYXGOVPRQNIYKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-14-2-5-20(27-10-14)31-8-6-18-16(12-31)21(29-13-28-18)30-17(7-9-32)15-3-4-19(26-11-15)22(23,24)25/h2-5,10-11,13,17,32H,6-9,12H2,1H3,(H,28,29,30)/t17-/m1/s1.

What are the key properties of (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol?

(3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol has a molecular weight of 444.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 25032425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).