[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone

C26H30F2N4O — CID 134329837

IUPAC[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(=O)[C@H]4CC(F)(F)CN4)CC3)cc12
InChIInChI=1S/C26H30F2N4O/c1-3-20-21-13-18(4-5-22(21)31-24(20)19-6-9-29-16(2)12-19)17-7-10-32(11-8-17)25(33)23-14-26(27,28)15-30-23/h4-6,9,12-13,17,23,30-31H,3,7-8,10-11,14-15H2,1-2H3/t23-/m1/s1
InChIKeyKFLDXJHXMHPNJL-HSZRJFAPSA-N
MW452.55 g/mol
LogP4.80
Rot. Bonds4

About [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone

[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone (PubChem CID 134329837) has the molecular formula C26H30F2N4O and a molecular weight of 452.55 g/mol. Its IUPAC name is [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone
PubChem CID134329837
Molecular FormulaC26H30F2N4O
Molecular Weight452.55 g/mol
Exact Mass452.24
IUPAC Name[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(=O)[C@H]4CC(F)(F)CN4)CC3)cc12
InChIInChI=1S/C26H30F2N4O/c1-3-20-21-13-18(4-5-22(21)31-24(20)19-6-9-29-16(2)12-19)17-7-10-32(11-8-17)25(33)23-14-26(27,28)15-30-23/h4-6,9,12-13,17,23,30-31H,3,7-8,10-11,14-15H2,1-2H3/t23-/m1/s1
InChIKeyKFLDXJHXMHPNJL-HSZRJFAPSA-N
XLogP4.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone 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

Anamorelin
CID 9828911
Macimorelin
CID 9804938
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286
Brevianamide F
CID 181567
Tryprostatin B
CID 9863281
Demethoxyfumitremorgin C
CID 10337896
c[L-Phe-D-pro-L-Phe-L-trp]
CID 44583372
Pmx-205
CID 6918845
Pmx-53
CID 6918468
Phenylglycine-01
CID 4695397
Cyclo-(L-Trp-L-Trp)
CID 7091706
(S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropan-1-one
CID 10231401

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone (CID 134329837) is [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(C(=O)[C@H]4CC(F)(F)CN4)CC3)cc12.
What is the InChIKey of [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone?
The InChIKey is KFLDXJHXMHPNJL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30F2N4O/c1-3-20-21-13-18(4-5-22(21)31-24(20)19-6-9-29-16(2)12-19)17-7-10-32(11-8-17)25(33)23-14-26(27,28)15-30-23/h4-6,9,12-13,17,23,30-31H,3,7-8,10-11,14-15H2,1-2H3/t23-/m1/s1.
What are the key properties of [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone?
[(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone has a molecular weight of 452.55 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoropyrrolidin-2-yl]-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134329837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).