2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole

C37H40N4 — CID 161155782

IUPAC2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole
SMILESCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C=C(C)CN6)C5)c5c4C4(CCCC4)CC5)cc3)C2)NC1
InChIInChI=1S/C37H40N4/c1-23-15-32(38-19-23)34-17-27(21-40-34)25-5-7-26(8-6-25)30-10-9-29(31-11-14-37(36(30)31)12-3-4-13-37)28-18-35(41-22-28)33-16-24(2)20-39-33/h5-10,15-16,21-22,32-33,38-39H,3-4,11-14,17-20H2,1-2H3/t32-,33-/m0/s1
InChIKeyGTAXUCWYDKTQPY-LQJZCPKCSA-N
MW540.76 g/mol
LogP7.32
Rot. Bonds5

About 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole

2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole (PubChem CID 161155782) has the molecular formula C37H40N4 and a molecular weight of 540.76 g/mol. Its IUPAC name is 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole
PubChem CID161155782
Molecular FormulaC37H40N4
Molecular Weight540.76 g/mol
Exact Mass540.33
IUPAC Name2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole
SMILESCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C=C(C)CN6)C5)c5c4C4(CCCC4)CC5)cc3)C2)NC1
InChIInChI=1S/C37H40N4/c1-23-15-32(38-19-23)34-17-27(21-40-34)25-5-7-26(8-6-25)30-10-9-29(31-11-14-37(36(30)31)12-3-4-13-37)28-18-35(41-22-28)33-16-24(2)20-39-33/h5-10,15-16,21-22,32-33,38-39H,3-4,11-14,17-20H2,1-2H3/t32-,33-/m0/s1
InChIKeyGTAXUCWYDKTQPY-LQJZCPKCSA-N
XLogP7.32
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole with MolForge

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Related Compounds

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2-pyrrolidin-2-yl-4-[7-[4-(2-pyrrolidin-2-yl-2,5-dihydro-1H-imidazol-4-yl)cyclohexyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-2,5-dihydro-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole?
The IUPAC name of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole (CID 161155782) is 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole.
What is the SMILES notation for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole?
The canonical SMILES for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole is CC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C=C(C)CN6)C5)c5c4C4(CCCC4)CC5)cc3)C2)NC1.
What is the InChIKey of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole?
The InChIKey is GTAXUCWYDKTQPY-LQJZCPKCSA-N. The full InChI is InChI=1S/C37H40N4/c1-23-15-32(38-19-23)34-17-27(21-40-34)25-5-7-26(8-6-25)30-10-9-29(31-11-14-37(36(30)31)12-3-4-13-37)28-18-35(41-22-28)33-16-24(2)20-39-33/h5-10,15-16,21-22,32-33,38-39H,3-4,11-14,17-20H2,1-2H3/t32-,33-/m0/s1.
What are the key properties of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole?
2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole has a molecular weight of 540.76 g/mol, XLogP of 7.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[7-[4-[2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-3H-pyrrol-4-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-3H-pyrrole is sourced from PubChem (CID 161155782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).