(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

C20H25N3OS — CID 51495613

IUPAC(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(-n2cccc2CN(Cc2ccc(C)s2)C[C@@H](C)O)nc1
InChIInChI=1S/C20H25N3OS/c1-15-6-9-20(21-11-15)23-10-4-5-18(23)13-22(12-16(2)24)14-19-8-7-17(3)25-19/h4-11,16,24H,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQBYMVZVVJJSUQW-MRXNPFEDSA-N
MW355.51 g/mol
LogP3.93
Rot. Bonds7

About (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 51495613) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID51495613
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(-n2cccc2CN(Cc2ccc(C)s2)C[C@@H](C)O)nc1
InChIInChI=1S/C20H25N3OS/c1-15-6-9-20(21-11-15)23-10-4-5-18(23)13-22(12-16(2)24)14-19-8-7-17(3)25-19/h4-11,16,24H,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQBYMVZVVJJSUQW-MRXNPFEDSA-N
XLogP3.93
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
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CID 3062730
2-[4-(5-Thiophen-3-ylpyrazin-2-yl)piperazin-1-yl]ethanol
CID 49778774
2-[4-(3-Thiophen-2-ylpyrazin-2-yl)piperazin-1-yl]ethanol
CID 172435293
2-[2-Hydroxyethyl-(6-thiophen-2-ylpyrazin-2-yl)amino]ethanol
CID 172435945
[1-(3-Thiophen-2-ylpyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 172437943
2-[4-{[1-(2-pyridinyl)-1H-pyrrol-2-yl]methyl}-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45226325
3-{5-[4-phenyl-1-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]-2-thienyl}prop-2-yn-1-ol
CID 50966950
(2-Methoxyethyl)[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl][(5-methyl-2-thienyl)methyl]amine
CID 91840998
(3R,4S)-4-(3-methylthiophen-2-yl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 164634214
3-[4-(2-Fluoropropan-2-yl)-5-thiophen-3-yl-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one
CID 124016520
1-[[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46954127

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 51495613) is (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccc(-n2cccc2CN(Cc2ccc(C)s2)C[C@@H](C)O)nc1.
What is the InChIKey of (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is QBYMVZVVJJSUQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-6-9-20(21-11-15)23-10-4-5-18(23)13-22(12-16(2)24)14-19-8-7-17(3)25-19/h4-11,16,24H,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
(2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 355.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 51495613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).