N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

C25H29FN4O3 — CID 54583161

IUPACN-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31)
InChIKeyPLSDMMCMCKLASA-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 54583161) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
PubChem CID54583161
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC NameN-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31)
InChIKeyPLSDMMCMCKLASA-UHFFFAOYSA-N
XLogP3.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-378806
CID 5495818
4-Fluoro-2-((2-((2-methoxy-4-(1-propylpiperidin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218600
5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2S)-
CID 5495819
7-(2,2-Dimethylpropyl)-6-[(5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10004326
(E)-3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 155533282
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)propionamide
CID 52918078
N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)butyramide
CID 52918079
4-[[(3S,4R)-3-fluoro-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162650738
Piperazine, 4-benzoyl-1-(2-(4-methoxy-1H-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-
CID 5495820
2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10027534

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (CID 54583161) is N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is COc1ccc2c(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cn(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is PLSDMMCMCKLASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 452.53 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 54583161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).