(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide

C23H29N5O — CID 92633470

IUPAC(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ncc(CN2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1
InChIInChI=1S/C23H29N5O/c1-16(2)22-26-11-17(12-27-22)14-28-10-8-19(15-28)23(29)24-9-7-18-13-25-21-6-4-3-5-20(18)21/h3-6,11-13,16,19,25H,7-10,14-15H2,1-2H3,(H,24,29)/t19-/m1/s1
InChIKeyMSTOMXPKZNXYMG-LJQANCHMSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds7

About (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide

(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92633470) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID92633470
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ncc(CN2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1
InChIInChI=1S/C23H29N5O/c1-16(2)22-26-11-17(12-27-22)14-28-10-8-19(15-28)23(29)24-9-7-18-13-25-21-6-4-3-5-20(18)21/h3-6,11-13,16,19,25H,7-10,14-15H2,1-2H3,(H,24,29)/t19-/m1/s1
InChIKeyMSTOMXPKZNXYMG-LJQANCHMSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
N-[2-(1H-indol-3-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26710909
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633597
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide (CID 92633470) is (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide is CC(C)c1ncc(CN2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1.
What is the InChIKey of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is MSTOMXPKZNXYMG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16(2)22-26-11-17(12-27-22)14-28-10-8-19(15-28)23(29)24-9-7-18-13-25-21-6-4-3-5-20(18)21/h3-6,11-13,16,19,25H,7-10,14-15H2,1-2H3,(H,24,29)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).