cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

C59H68FN15O4 — CID 163647932

About cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 163647932) has the molecular formula C59H68FN15O4 and a molecular weight of 1070.29 g/mol. Its IUPAC name is cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 163647932
• Molecular Formula: C59H68FN15O4
• Molecular Weight: 1070.29 g/mol
• Exact Mass: 1069.56
• IUPAC Name: cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
• SMILES: CCOC(=O)N1CCN(c2ccnc3c2C=C(c2cnn(C)c2)C3)CC1.Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CC5)CC4)ccnc3C2)cn1.Cn1cc(C2=Cc3c(N4CCN(C(=O)[C@@H]5C[C@H]5F)CC4)ccnc3C2)cn1
• InChI: InChI=1S/C20H22FN5O.C20H23N5O.C19H23N5O2/c1-24-12-14(11-23-24)13-8-16-18(9-13)22-3-2-19(16)25-4-6-26(7-5-25)20(27)15-10-17(15)21;1-23-13-16(12-22-23)15-10-17-18(11-15)21-5-4-19(17)24-6-8-25(9-7-24)20(26)14-2-3-14;1-3-26-19(25)24-8-6-23(7-9-24)18-4-5-20-17-11-14(10-16(17)18)15-12-21-22(2)13-15/h2-3,8,11-12,15,17H,4-7,9-10H2,1H3;4-5,10,12-14H,2-3,6-9,11H2,1H3;4-5,10,12-13H,3,6-9,11H2,1-2H3/t15-,17-;;/m1../s1
• InChIKey: IJVMSWCUSZKLDD-FXKISCCRSA-N
• XLogP: 6.08
• TPSA: 172.01 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.29
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (CID 163647932) is cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is CCOC(=O)N1CCN(c2ccnc3c2C=C(c2cnn(C)c2)C3)CC1.Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CC5)CC4)ccnc3C2)cn1.Cn1cc(C2=Cc3c(N4CCN(C(=O)[C@@H]5C[C@H]5F)CC4)ccnc3C2)cn1.

What is the InChIKey of cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The InChIKey is IJVMSWCUSZKLDD-FXKISCCRSA-N. The full InChI is InChI=1S/C20H22FN5O.C20H23N5O.C19H23N5O2/c1-24-12-14(11-23-24)13-8-16-18(9-13)22-3-2-19(16)25-4-6-26(7-5-25)20(27)15-10-17(15)21;1-23-13-16(12-22-23)15-10-17-18(11-15)21-5-4-19(17)24-6-8-25(9-7-24)20(26)14-2-3-14;1-3-26-19(25)24-8-6-23(7-9-24)18-4-5-20-17-11-14(10-16(17)18)15-12-21-22(2)13-15/h2-3,8,11-12,15,17H,4-7,9-10H2,1H3;4-5,10,12-14H,2-3,6-9,11H2,1H3;4-5,10,12-13H,3,6-9,11H2,1-2H3/t15-,17-;;/m1../s1.

What are the key properties of cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 1070.29 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 163647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).