N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C₂₈H₃₈N₁₀O — CID 50991655

About N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 50991655) has the molecular formula C₂₈H₃₈N₁₀O and a molecular weight of 530.68 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

• Compound Name: N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
• PubChem CID: 50991655
• Molecular Formula: C₂₈H₃₈N₁₀O
• Molecular Weight: 530.68 g/mol
• Exact Mass: 530.32
• IUPAC Name: N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
• SMILES: CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(CN4CCN(C)CC4)n(C)n3)nc21
• InChI: InChI=1S/C28H38N10O/c1-5-37-22(28(39)38(18-6-7-18)19-8-9-19)15-21-25-24(29-17-34(25)3)26(31-27(21)37)30-23-14-20(35(4)32-23)16-36-12-10-33(2)11-13-36/h14-15,17-19H,5-13,16H2,1-4H3,(H,30,31,32)
• InChIKey: OWCCLONLRPZHEO-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 92.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.68
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?

The IUPAC name of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 50991655) is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

What is the SMILES notation for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?

The canonical SMILES for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(CN4CCN(C)CC4)n(C)n3)nc21.

What is the InChIKey of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?

The InChIKey is OWCCLONLRPZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N10O/c1-5-37-22(28(39)38(18-6-7-18)19-8-9-19)15-21-25-24(29-17-34(25)3)26(31-27(21)37)30-23-14-20(35(4)32-23)16-36-12-10-33(2)11-13-36/h14-15,17-19H,5-13,16H2,1-4H3,(H,30,31,32).

What are the key properties of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?

N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 530.68 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-3-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 50991655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50991655 — identifiers, structure, computed properties (public domain)

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