2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine

C23H21N5S — CID 167913134

IUPAC2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine
SMILESc1ccc(-c2cc(CNCC(c3cccs3)c3c[nH]c4ccccc34)[nH]n2)nc1
InChIInChI=1S/C23H21N5S/c1-2-7-20-17(6-1)18(15-26-20)19(23-9-5-11-29-23)14-24-13-16-12-22(28-27-16)21-8-3-4-10-25-21/h1-12,15,19,24,26H,13-14H2,(H,27,28)
InChIKeyNQONXELPJSMGDG-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.94
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine

2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 167913134) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID167913134
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine
SMILESc1ccc(-c2cc(CNCC(c3cccs3)c3c[nH]c4ccccc34)[nH]n2)nc1
InChIInChI=1S/C23H21N5S/c1-2-7-20-17(6-1)18(15-26-20)19(23-9-5-11-29-23)14-24-13-16-12-22(28-27-16)21-8-3-4-10-25-21/h1-12,15,19,24,26H,13-14H2,(H,27,28)
InChIKeyNQONXELPJSMGDG-UHFFFAOYSA-N
XLogP4.94
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
CID 97014263
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine (CID 167913134) is 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine is c1ccc(-c2cc(CNCC(c3cccs3)c3c[nH]c4ccccc34)[nH]n2)nc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is NQONXELPJSMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-2-7-20-17(6-1)18(15-26-20)19(23-9-5-11-29-23)14-24-13-16-12-22(28-27-16)21-8-3-4-10-25-21/h1-12,15,19,24,26H,13-14H2,(H,27,28).
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine?
2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 399.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 167913134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).