N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine

C98H109F2N17OS4 — CID 157083731

About N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine

N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 157083731) has the molecular formula C98H109F2N17OS4 and a molecular weight of 1707.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine
• PubChem CID: 157083731
• Molecular Formula: C98H109F2N17OS4
• Molecular Weight: 1707.33 g/mol
• Exact Mass: 1705.79
• IUPAC Name: N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine
• SMILES: CN(c1ccc(F)cc1)c1cc(C2CCCN2C)ccn1.CN1CCC2CCN(CCc3ccccc3)CC21.CN1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)ncnc2s1
• InChI: InChI=1S/C17H20FN3.2C17H17N3S.C16H16N4S.C16H24N2.C15H15FN2OS/c1-20-11-3-4-16(20)13-9-10-19-17(12-13)21(2)15-7-5-14(18)6-8-15;1-20-11-5-8-14(20)16-19-15-13(9-10-18-17(15)21-16)12-6-3-2-4-7-12;1-20-11-5-8-13(20)17-19-16-14(21-17)9-10-18-15(16)12-6-3-2-4-7-12;1-20-9-5-8-12(20)15-19-14-13(11-6-3-2-4-7-11)17-10-18-16(14)21-15;1-17-10-8-15-9-12-18(13-16(15)17)11-7-14-5-3-2-4-6-14;1-18-8-2-3-13(18)15-17-12(9-20-15)14(19)10-4-6-11(16)7-5-10/h5-10,12,16H,3-4,11H2,1-2H3;2-4,6-7,9-10,14H,5,8,11H2,1H3;2-4,6-7,9-10,13H,5,8,11H2,1H3;2-4,6-7,10,12H,5,8-9H2,1H3;2-6,15-16H,7-13H2,1H3;4-7,9,13H,2-3,8H2,1H3/t;14-;13-;12-;;/m.000../s1
• InChIKey: ADVRYPQKQJUXRG-NEEUTYEXSA-N
• XLogP: 21.06
• TPSA: 159.00 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1707.33
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?

The IUPAC name of N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 157083731) is N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine.

What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?

The canonical SMILES for N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine is CN(c1ccc(F)cc1)c1cc(C2CCCN2C)ccn1.CN1CCC2CCN(CCc3ccccc3)CC21.CN1CCCC1c1nc(C(=O)c2ccc(F)cc2)cs1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1.CN1CCC[C@H]1c1nc2c(-c3ccccc3)ncnc2s1.

What is the InChIKey of N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?

The InChIKey is ADVRYPQKQJUXRG-NEEUTYEXSA-N. The full InChI is InChI=1S/C17H20FN3.2C17H17N3S.C16H16N4S.C16H24N2.C15H15FN2OS/c1-20-11-3-4-16(20)13-9-10-19-17(12-13)21(2)15-7-5-14(18)6-8-15;1-20-11-5-8-14(20)16-19-15-13(9-10-18-17(15)21-16)12-6-3-2-4-7-12;1-20-11-5-8-13(20)17-19-16-14(21-17)9-10-18-15(16)12-6-3-2-4-7-12;1-20-9-5-8-12(20)15-19-14-13(11-6-3-2-4-7-11)17-10-18-16(14)21-15;1-17-10-8-15-9-12-18(13-16(15)17)11-7-14-5-3-2-4-6-14;1-18-8-2-3-13(18)15-17-12(9-20-15)14(19)10-4-6-11(16)7-5-10/h5-10,12,16H,3-4,11H2,1-2H3;2-4,6-7,9-10,14H,5,8,11H2,1H3;2-4,6-7,9-10,13H,5,8,11H2,1H3;2-4,6-7,10,12H,5,8-9H2,1H3;2-6,15-16H,7-13H2,1H3;4-7,9,13H,2-3,8H2,1H3/t;14-;13-;12-;;/m.000../s1.

What are the key properties of N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine?

N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 1707.33 g/mol, XLogP of 21.06, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-methyl-4-(1-methylpyrrolidin-2-yl)pyridin-2-amine;(4-fluorophenyl)-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanone;1-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-b]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-4-phenyl-[1,3]thiazolo[4,5-c]pyridine;2-[(2S)-1-methylpyrrolidin-2-yl]-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 157083731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).