(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one

C22H23F3N8O — CID 146194752

About (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one

(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one (PubChem CID 146194752) has the molecular formula C22H23F3N8O and a molecular weight of 472.48 g/mol. Its IUPAC name is (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one
• PubChem CID: 146194752
• Molecular Formula: C22H23F3N8O
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.19
• IUPAC Name: (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one
• SMILES: Cc1nc(NC2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)[C@H](C)N2C
• InChI: InChI=1S/C22H23F3N8O/c1-11-18-19(32(3)12(2)20(34)30-18)31-21(28-11)29-15-5-6-16-14(15)9-27-33(16)10-13-4-7-17(26-8-13)22(23,24)25/h4,7-9,12,15H,5-6,10H2,1-3H3,(H,30,34)(H,28,29,31)/t12-,15?/m0/s1
• InChIKey: DXRPVKHIDOZUIV-SFVWDYPZSA-N
• XLogP: 3.32
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one?

The IUPAC name of (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one (CID 146194752) is (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one.

What is the SMILES notation for (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one?

The canonical SMILES for (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one is Cc1nc(NC2CCc3c2cnn3Cc2ccc(C(F)(F)F)nc2)nc2c1NC(=O)[C@H](C)N2C.

What is the InChIKey of (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one?

The InChIKey is DXRPVKHIDOZUIV-SFVWDYPZSA-N. The full InChI is InChI=1S/C22H23F3N8O/c1-11-18-19(32(3)12(2)20(34)30-18)31-21(28-11)29-15-5-6-16-14(15)9-27-33(16)10-13-4-7-17(26-8-13)22(23,24)25/h4,7-9,12,15H,5-6,10H2,1-3H3,(H,30,34)(H,28,29,31)/t12-,15?/m0/s1.

What are the key properties of (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one?

(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one has a molecular weight of 472.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]amino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146194752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).