5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C26H26N6O2 — CID 118261011

IUPAC5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(/C=C/C(=O)N3CC4C=C(c5ccnn5C)CC4C3)cn2)c1
InChIInChI=1S/C26H26N6O2/c1-17-9-20(14-27-12-17)26(34)30-24-5-3-18(13-28-24)4-6-25(33)32-15-21-10-19(11-22(21)16-32)23-7-8-29-31(23)2/h3-10,12-14,21-22H,11,15-16H2,1-2H3,(H,28,30,34)/b6-4+
InChIKeyABFNDOCWAXATJT-GQCTYLIASA-N
MW454.53 g/mol
LogP3.35
Rot. Bonds5

About 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 118261011) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID118261011
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(/C=C/C(=O)N3CC4C=C(c5ccnn5C)CC4C3)cn2)c1
InChIInChI=1S/C26H26N6O2/c1-17-9-20(14-27-12-17)26(34)30-24-5-3-18(13-28-24)4-6-25(33)32-15-21-10-19(11-22(21)16-32)23-7-8-29-31(23)2/h3-10,12-14,21-22H,11,15-16H2,1-2H3,(H,28,30,34)/b6-4+
InChIKeyABFNDOCWAXATJT-GQCTYLIASA-N
XLogP3.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide 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 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 118261011) is 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2ccc(/C=C/C(=O)N3CC4C=C(c5ccnn5C)CC4C3)cn2)c1.
What is the InChIKey of 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is ABFNDOCWAXATJT-GQCTYLIASA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-9-20(14-27-12-17)26(34)30-24-5-3-18(13-28-24)4-6-25(33)32-15-21-10-19(11-22(21)16-32)23-7-8-29-31(23)2/h3-10,12-14,21-22H,11,15-16H2,1-2H3,(H,28,30,34)/b6-4+.
What are the key properties of 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118261011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).