1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone

C26H33N5O2 — CID 58296399

IUPAC1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1cnc(N2CCC(CNCc3cn(C4CCCC4)c4ccccc34)CC2)nc1
InChIInChI=1S/C26H33N5O2/c32-18-25(33)20-15-28-26(29-16-20)30-11-9-19(10-12-30)13-27-14-21-17-31(22-5-1-2-6-22)24-8-4-3-7-23(21)24/h3-4,7-8,15-17,19,22,27,32H,1-2,5-6,9-14,18H2
InChIKeyPAEMZBAFMHUBJQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.73
Rot. Bonds8

About 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone

1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone (PubChem CID 58296399) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
PubChem CID58296399
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1cnc(N2CCC(CNCc3cn(C4CCCC4)c4ccccc34)CC2)nc1
InChIInChI=1S/C26H33N5O2/c32-18-25(33)20-15-28-26(29-16-20)30-11-9-19(10-12-30)13-27-14-21-17-31(22-5-1-2-6-22)24-8-4-3-7-23(21)24/h3-4,7-8,15-17,19,22,27,32H,1-2,5-6,9-14,18H2
InChIKeyPAEMZBAFMHUBJQ-UHFFFAOYSA-N
XLogP3.73
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone 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

1-[2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 58296378
1-[2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
CID 58296476
N-[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 146297708
2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrimidine-5-carboxamide
CID 146294688
2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 11589660
[(2S,3S,6S)-6-methyl-2-[[2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carbonyl]amino]oxyoxan-3-yl] acetate
CID 146297699
2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 143507194
2-(1-cyclopentylindol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 11186412
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
ethyl 2-amino-3-(1-cyclopentylindol-3-yl)propanoate
CID 170885671
1-[2-[4-[[(5-methoxy-1H-indol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 58296441
2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 159761793

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone (CID 58296399) is 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone is O=C(CO)c1cnc(N2CCC(CNCc3cn(C4CCCC4)c4ccccc34)CC2)nc1.
What is the InChIKey of 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone?
The InChIKey is PAEMZBAFMHUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c32-18-25(33)20-15-28-26(29-16-20)30-11-9-19(10-12-30)13-27-14-21-17-31(22-5-1-2-6-22)24-8-4-3-7-23(21)24/h3-4,7-8,15-17,19,22,27,32H,1-2,5-6,9-14,18H2.
What are the key properties of 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone?
1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone has a molecular weight of 447.58 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 58296399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).