7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

C65H59ClF3N15O3 — CID 157074408

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (PubChem CID 157074408) has the molecular formula C65H59ClF3N15O3 and a molecular weight of 1190.74 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

• Compound Name: 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
• PubChem CID: 157074408
• Molecular Formula: C65H59ClF3N15O3
• Molecular Weight: 1190.74 g/mol
• Exact Mass: 1189.46
• IUPAC Name: 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
• SMILES: COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(C)cnn13)C2.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/C22H20FN5O.C21H18FN5O.C12H8ClFN4.C10H13NO/c1-13-10-25-28-21(9-20(27-22(13)28)16-5-17(23)12-24-11-16)26-18-6-14-3-4-19(29-2)8-15(14)7-18;1-12-9-24-27-20(25-17-5-13-2-3-18(28)7-14(13)6-17)8-19(26-21(12)27)15-4-16(22)11-23-10-15;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-12-10-3-2-7-4-9(11)5-8(7)6-10/h3-5,8-12,18,26H,6-7H2,1-2H3;2-4,7-11,17,25,28H,5-6H2,1H3;2-6H,1H3;2-3,6,9H,4-5,11H2,1H3/t18-;17-;;9-/m00.0/s1
• InChIKey: ACUPCMITGOFTET-UVBLGUPESA-N
• XLogP: 11.36
• TPSA: 218.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.74
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?

The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (CID 157074408) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.

What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?

The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(C)cnn13)C2.Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.

What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?

The InChIKey is ACUPCMITGOFTET-UVBLGUPESA-N. The full InChI is InChI=1S/C22H20FN5O.C21H18FN5O.C12H8ClFN4.C10H13NO/c1-13-10-25-28-21(9-20(27-22(13)28)16-5-17(23)12-24-11-16)26-18-6-14-3-4-19(29-2)8-15(14)7-18;1-12-9-24-27-20(25-17-5-13-2-3-18(28)7-14(13)6-17)8-19(26-21(12)27)15-4-16(22)11-23-10-15;1-7-4-16-18-11(13)3-10(17-12(7)18)8-2-9(14)6-15-5-8;1-12-10-3-2-7-4-9(11)5-8(7)6-10/h3-5,8-12,18,26H,6-7H2,1-2H3;2-4,7-11,17,25,28H,5-6H2,1H3;2-6H,1H3;2-3,6,9H,4-5,11H2,1H3/t18-;17-;;9-/m00.0/s1.

What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?

7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine has a molecular weight of 1190.74 g/mol, XLogP of 11.36, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 157074408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).