N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide

About N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide

N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide (PubChem CID 165152625) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide.

Molecular Properties

Compound Name	N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide
PubChem CID	165152625
Molecular Formula	C26H29FN4O3
Molecular Weight	464.54 g/mol
Exact Mass	464.22
IUPAC Name	N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide
SMILES	C=CC(=O)N(C)C(C)C(=O)NC[C@@H]1CCc2c([nH]c(C=C3C(=O)Nc4ccc(F)cc43)c2C)C1
InChI	InChI=1S/C26H29FN4O3/c1-5-24(32)31(4)15(3)25(33)28-13-16-6-8-18-14(2)22(29-23(18)10-16)12-20-19-11-17(27)7-9-21(19)30-26(20)34/h5,7,9,11-12,15-16,29H,1,6,8,10,13H2,2-4H3,(H,28,33)(H,30,34)/t15?,16-/m1/s1
InChIKey	VGIONPWLXUVWCW-OEMAIJDKSA-N
XLogP	3.21
TPSA	94.30 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide?

The IUPAC name of N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide (CID 165152625) is N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide.

What is the SMILES notation for N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide?

The canonical SMILES for N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide is C=CC(=O)N(C)C(C)C(=O)NC[C@@H]1CCc2c([nH]c(C=C3C(=O)Nc4ccc(F)cc43)c2C)C1.

What is the InChIKey of N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide?

The InChIKey is VGIONPWLXUVWCW-OEMAIJDKSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-5-24(32)31(4)15(3)25(33)28-13-16-6-8-18-14(2)22(29-23(18)10-16)12-20-19-11-17(27)7-9-21(19)30-26(20)34/h5,7,9,11-12,15-16,29H,1,6,8,10,13H2,2-4H3,(H,28,33)(H,30,34)/t15?,16-/m1/s1.

What are the key properties of N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide?

N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide has a molecular weight of 464.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(6R)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-4,5,6,7-tetrahydro-1H-indol-6-yl]methyl]-2-[methyl(prop-2-enoyl)amino]propanamide is sourced from PubChem (CID 165152625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).