3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol

C26H34N4O — CID 69499822

IUPAC3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-n2ccc(Cc3ccccc3N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C26H34N4O/c1-4-26(31,5-2)25-11-10-23(19-27-25)30-13-12-21(20-30)18-22-8-6-7-9-24(22)29-16-14-28(3)15-17-29/h6-13,19-20,31H,4-5,14-18H2,1-3H3
InChIKeyKGWAXINSFNPUCV-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.22
Rot. Bonds7

About 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol

3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol (PubChem CID 69499822) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol.

Molecular Properties

Compound Name3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol
PubChem CID69499822
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-n2ccc(Cc3ccccc3N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C26H34N4O/c1-4-26(31,5-2)25-11-10-23(19-27-25)30-13-12-21(20-30)18-22-8-6-7-9-24(22)29-16-14-28(3)15-17-29/h6-13,19-20,31H,4-5,14-18H2,1-3H3
InChIKeyKGWAXINSFNPUCV-UHFFFAOYSA-N
XLogP4.22
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol with MolForge

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Related Compounds

(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11531880
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one
CID 11590186
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 15984415
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874
(3R)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 161187086
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-(methylideneamino)-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 163903818
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
CID 58996638
1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11639779
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56518265

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol?
The IUPAC name of 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol (CID 69499822) is 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol.
What is the SMILES notation for 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol?
The canonical SMILES for 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol is CCC(O)(CC)c1ccc(-n2ccc(Cc3ccccc3N3CCN(C)CC3)c2)cn1.
What is the InChIKey of 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol?
The InChIKey is KGWAXINSFNPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-4-26(31,5-2)25-11-10-23(19-27-25)30-13-12-21(20-30)18-22-8-6-7-9-24(22)29-16-14-28(3)15-17-29/h6-13,19-20,31H,4-5,14-18H2,1-3H3.
What are the key properties of 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol?
3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol has a molecular weight of 418.59 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol is sourced from PubChem (CID 69499822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).