2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide

C33H44FN5O2 — CID 167204788

IUPAC2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCC(CN2C[C@@H](Cc3cn(-c4ccc(F)cc4C(=O)N(C)C(C)C)c4cncc(C)c34)C[C@@H]2C)CC1
InChIInChI=1S/C33H44FN5O2/c1-21(2)36(6)33(41)29-15-28(34)7-8-30(29)39-20-27(32-22(3)16-35-17-31(32)39)14-26-13-23(4)38(19-26)18-25-9-11-37(12-10-25)24(5)40/h7-8,15-17,20-21,23,25-26H,9-14,18-19H2,1-6H3/t23-,26+/m0/s1
InChIKeyPDCLILMTFQNNRF-JYFHCDHNSA-N
MW561.75 g/mol
LogP5.46
Rot. Bonds7

About 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide

2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 167204788) has the molecular formula C33H44FN5O2 and a molecular weight of 561.75 g/mol. Its IUPAC name is 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
PubChem CID167204788
Molecular FormulaC33H44FN5O2
Molecular Weight561.75 g/mol
Exact Mass561.35
IUPAC Name2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCC(CN2C[C@@H](Cc3cn(-c4ccc(F)cc4C(=O)N(C)C(C)C)c4cncc(C)c34)C[C@@H]2C)CC1
InChIInChI=1S/C33H44FN5O2/c1-21(2)36(6)33(41)29-15-28(34)7-8-30(29)39-20-27(32-22(3)16-35-17-31(32)39)14-26-13-23(4)38(19-26)18-25-9-11-37(12-10-25)24(5)40/h7-8,15-17,20-21,23,25-26H,9-14,18-19H2,1-6H3/t23-,26+/m0/s1
InChIKeyPDCLILMTFQNNRF-JYFHCDHNSA-N
XLogP5.46
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.75
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[[(3S)-1-(1-acetylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 167204601
2-[3-[[(3R)-1-[[(1S,5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 167204384
2-[3-[[1-(2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)azetidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 167204806
2-[3-[[1-[(2S,4S)-1-acetyl-2-methylpiperidin-4-yl]azetidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 169016404
2-[3-[[(3S)-1-[(3S)-6-(4-acetylpiperazin-1-yl)-2-methylhexan-3-yl]pyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 167205004
3-[[4-[[1-[4-fluoro-2-[methyl(propan-2-yl)carbamoyl]phenyl]-4-methylpyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 167205092
5-fluoro-2-[3-[[1-[[1-(1-hydroxycyclopropanecarbonyl)piperidin-4-yl]methyl]azetidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 167204995
5-fluoro-N-methyl-2-[4-methyl-3-[[(3R,5R)-5-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 169016427
5-fluoro-N-methyl-2-[4-methyl-3-[[1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]piperidin-4-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 167204618
5-fluoro-N-methyl-2-[4-methyl-3-[[(3R)-1-[1-(3-oxocyclobutyl)ethyl]pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 167205059
2-[3-[[(3S)-1-[(2R)-2-acetamidopropyl]pyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 169016445
2-[3-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]azetidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 167204611

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (CID 167204788) is 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is CC(=O)N1CCC(CN2C[C@@H](Cc3cn(-c4ccc(F)cc4C(=O)N(C)C(C)C)c4cncc(C)c34)C[C@@H]2C)CC1.
What is the InChIKey of 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is PDCLILMTFQNNRF-JYFHCDHNSA-N. The full InChI is InChI=1S/C33H44FN5O2/c1-21(2)36(6)33(41)29-15-28(34)7-8-30(29)39-20-27(32-22(3)16-35-17-31(32)39)14-26-13-23(4)38(19-26)18-25-9-11-37(12-10-25)24(5)40/h7-8,15-17,20-21,23,25-26H,9-14,18-19H2,1-6H3/t23-,26+/m0/s1.
What are the key properties of 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?
2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 561.75 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S,5S)-1-[(1-acetylpiperidin-4-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-4-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 167204788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).