(2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C34H35F2N7O5 — CID 71259135

About (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 71259135) has the molecular formula C34H35F2N7O5 and a molecular weight of 659.69 g/mol. Its IUPAC name is (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 71259135
• Molecular Formula: C34H35F2N7O5
• Molecular Weight: 659.69 g/mol
• Exact Mass: 659.27
• IUPAC Name: (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1nc2cc(C(=O)NCc3ccc(F)cc3-n3nncc3C)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C34H35F2N7O5/c1-17-15-38-41-42(17)26-12-21(35)10-9-20(26)16-37-32(44)25-14-27-39-19(3)28(31(33(45)46)48-34(4,5)6)29(43(27)40-25)23-13-24(36)30-22(18(23)2)8-7-11-47-30/h9-10,12-15,31H,7-8,11,16H2,1-6H3,(H,37,44)(H,45,46)/t31-/m0/s1
• InChIKey: MEMBVLZAXADKCO-HKBQPEDESA-N
• XLogP: 5.38
• TPSA: 145.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.69
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 71259135) is (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1nc2cc(C(=O)NCc3ccc(F)cc3-n3nncc3C)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is MEMBVLZAXADKCO-HKBQPEDESA-N. The full InChI is InChI=1S/C34H35F2N7O5/c1-17-15-38-41-42(17)26-12-21(35)10-9-20(26)16-37-32(44)25-14-27-39-19(3)28(31(33(45)46)48-34(4,5)6)29(43(27)40-25)23-13-24(36)30-22(18(23)2)8-7-11-47-30/h9-10,12-15,31H,7-8,11,16H2,1-6H3,(H,37,44)(H,45,46)/t31-/m0/s1.

What are the key properties of (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

(2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 659.69 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-[[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methylcarbamoyl]-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 71259135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).