2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone

C66H63F6N21O4 — CID 158694137

IUPAC2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3/t14-;15-;16-/m000/s1
InChIKeyIGSJTFKGZCXXHB-IECIQYJASA-N
MW1328.36 g/mol
LogP8.83
Rot. Bonds16

About 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone

2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone (PubChem CID 158694137) has the molecular formula C66H63F6N21O4 and a molecular weight of 1328.36 g/mol. Its IUPAC name is 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
PubChem CID158694137
Molecular FormulaC66H63F6N21O4
Molecular Weight1328.36 g/mol
Exact Mass1327.53
IUPAC Name2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3/t14-;15-;16-/m000/s1
InChIKeyIGSJTFKGZCXXHB-IECIQYJASA-N
XLogP8.83
TPSA252.86 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.36
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The IUPAC name of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone (CID 158694137) is 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The canonical SMILES for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone is COc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1.
What is the InChIKey of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The InChIKey is IGSJTFKGZCXXHB-IECIQYJASA-N. The full InChI is InChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3/t14-;15-;16-/m000/s1.
What are the key properties of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone has a molecular weight of 1328.36 g/mol, XLogP of 8.83, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone is sourced from PubChem (CID 158694137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).