8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine

C65H72F6N18 — CID 158399067

IUPAC8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine
SMILESCN1CCC[C@H]1c1cnc2ccncc2c1.CN1CCC[C@H]1c1cnc2ccnnc2c1.CN1CCC[C@H]1c1cnc2cnccc2c1C(F)(F)F.CN1CCC[C@H]1c1cnc2nnccc2c1C(F)(F)F.Cc1c([C@@H]2CCCN2C)cnc2cncnc12
InChIInChI=1S/C14H14F3N3.C13H13F3N4.C13H16N4.C13H15N3.C12H14N4/c1-20-6-2-3-12(20)10-7-19-11-8-18-5-4-9(11)13(10)14(15,16)17;1-20-6-2-3-10(20)9-7-17-12-8(4-5-18-19-12)11(9)13(14,15)16;1-9-10(12-4-3-5-17(12)2)6-15-11-7-14-8-16-13(9)11;1-16-6-2-3-13(16)11-7-10-8-14-5-4-12(10)15-9-11;1-16-6-2-3-12(16)9-7-11-10(13-8-9)4-5-14-15-11/h4-5,7-8,12H,2-3,6H2,1H3;4-5,7,10H,2-3,6H2,1H3;6-8,12H,3-5H2,1-2H3;4-5,7-9,13H,2-3,6H2,1H3;4-5,7-8,12H,2-3,6H2,1H3/t12-;10-;12-;13-;12-/m00000/s1
InChIKeyGXWMHBKJXKTDJX-ZVHMBERUSA-N
MW1219.40 g/mol
LogP12.51
Rot. Bonds5

About 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine

8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine (PubChem CID 158399067) has the molecular formula C65H72F6N18 and a molecular weight of 1219.40 g/mol. Its IUPAC name is 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine
PubChem CID158399067
Molecular FormulaC65H72F6N18
Molecular Weight1219.40 g/mol
Exact Mass1218.61
IUPAC Name8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine
SMILESCN1CCC[C@H]1c1cnc2ccncc2c1.CN1CCC[C@H]1c1cnc2ccnnc2c1.CN1CCC[C@H]1c1cnc2cnccc2c1C(F)(F)F.CN1CCC[C@H]1c1cnc2nnccc2c1C(F)(F)F.Cc1c([C@@H]2CCCN2C)cnc2cncnc12
InChIInChI=1S/C14H14F3N3.C13H13F3N4.C13H16N4.C13H15N3.C12H14N4/c1-20-6-2-3-12(20)10-7-19-11-8-18-5-4-9(11)13(10)14(15,16)17;1-20-6-2-3-10(20)9-7-17-12-8(4-5-18-19-12)11(9)13(14,15)16;1-9-10(12-4-3-5-17(12)2)6-15-11-7-14-8-16-13(9)11;1-16-6-2-3-13(16)11-7-10-8-14-5-4-12(10)15-9-11;1-16-6-2-3-12(16)9-7-11-10(13-8-9)4-5-14-15-11/h4-5,7-8,12H,2-3,6H2,1H3;4-5,7,10H,2-3,6H2,1H3;6-8,12H,3-5H2,1-2H3;4-5,7-9,13H,2-3,6H2,1H3;4-5,7-8,12H,2-3,6H2,1H3/t12-;10-;12-;13-;12-/m00000/s1
InChIKeyGXWMHBKJXKTDJX-ZVHMBERUSA-N
XLogP12.51
TPSA183.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.40
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine with MolForge

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Related Compounds

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5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
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9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
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US9725449, Example 264
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(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine?
The IUPAC name of 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine (CID 158399067) is 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine.
What is the SMILES notation for 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine?
The canonical SMILES for 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine is CN1CCC[C@H]1c1cnc2ccncc2c1.CN1CCC[C@H]1c1cnc2ccnnc2c1.CN1CCC[C@H]1c1cnc2cnccc2c1C(F)(F)F.CN1CCC[C@H]1c1cnc2nnccc2c1C(F)(F)F.Cc1c([C@@H]2CCCN2C)cnc2cncnc12.
What is the InChIKey of 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine?
The InChIKey is GXWMHBKJXKTDJX-ZVHMBERUSA-N. The full InChI is InChI=1S/C14H14F3N3.C13H13F3N4.C13H16N4.C13H15N3.C12H14N4/c1-20-6-2-3-12(20)10-7-19-11-8-18-5-4-9(11)13(10)14(15,16)17;1-20-6-2-3-10(20)9-7-17-12-8(4-5-18-19-12)11(9)13(14,15)16;1-9-10(12-4-3-5-17(12)2)6-15-11-7-14-8-16-13(9)11;1-16-6-2-3-13(16)11-7-10-8-14-5-4-12(10)15-9-11;1-16-6-2-3-12(16)9-7-11-10(13-8-9)4-5-14-15-11/h4-5,7-8,12H,2-3,6H2,1H3;4-5,7,10H,2-3,6H2,1H3;6-8,12H,3-5H2,1-2H3;4-5,7-9,13H,2-3,6H2,1H3;4-5,7-8,12H,2-3,6H2,1H3/t12-;10-;12-;13-;12-/m00000/s1.
What are the key properties of 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine?
8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine has a molecular weight of 1219.40 g/mol, XLogP of 12.51, 5 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-d]pyrimidine;3-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;7-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,2-c]pyridazine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,7-naphthyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-c]pyridazine is sourced from PubChem (CID 158399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).