4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

C24H26N4O2 — CID 24888042

IUPAC4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESCO[C@@H]1CCN(c2ccc3c(c2)c2c(=O)[nH]ccc2c2nc(C4CCCC4)[nH]c32)C1
InChIInChI=1S/C24H26N4O2/c1-30-16-9-11-28(13-16)15-6-7-17-19(12-15)20-18(8-10-25-24(20)29)22-21(17)26-23(27-22)14-4-2-3-5-14/h6-8,10,12,14,16H,2-5,9,11,13H2,1H3,(H,25,29)(H,26,27)/t16-/m1/s1
InChIKeyKZXYDMVDSSUDOJ-MRXNPFEDSA-N
MW402.50 g/mol
LogP4.44
Rot. Bonds3

About 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (PubChem CID 24888042) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.

Molecular Properties

Compound Name4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
PubChem CID24888042
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESCO[C@@H]1CCN(c2ccc3c(c2)c2c(=O)[nH]ccc2c2nc(C4CCCC4)[nH]c32)C1
InChIInChI=1S/C24H26N4O2/c1-30-16-9-11-28(13-16)15-6-7-17-19(12-15)20-18(8-10-25-24(20)29)22-21(17)26-23(27-22)14-4-2-3-5-14/h6-8,10,12,14,16H,2-5,9,11,13H2,1H3,(H,25,29)(H,26,27)/t16-/m1/s1
InChIKeyKZXYDMVDSSUDOJ-MRXNPFEDSA-N
XLogP4.44
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The IUPAC name of 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (CID 24888042) is 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.
What is the SMILES notation for 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The canonical SMILES for 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is CO[C@@H]1CCN(c2ccc3c(c2)c2c(=O)[nH]ccc2c2nc(C4CCCC4)[nH]c32)C1.
What is the InChIKey of 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The InChIKey is KZXYDMVDSSUDOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-16-9-11-28(13-16)15-6-7-17-19(12-15)20-18(8-10-25-24(20)29)22-21(17)26-23(27-22)14-4-2-3-5-14/h6-8,10,12,14,16H,2-5,9,11,13H2,1H3,(H,25,29)(H,26,27)/t16-/m1/s1.
What are the key properties of 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one has a molecular weight of 402.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is sourced from PubChem (CID 24888042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).