5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C23H21N7 — CID 132771561

IUPAC5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nccc(C3CCCN3Cc3cccc4[nH]ccc34)n2)cn1
InChIInChI=1S/C23H21N7/c24-13-17-6-7-18(14-27-17)28-23-26-11-9-21(29-23)22-5-2-12-30(22)15-16-3-1-4-20-19(16)8-10-25-20/h1,3-4,6-11,14,22,25H,2,5,12,15H2,(H,26,28,29)
InChIKeyPBMMLMXUICPVNI-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.31
Rot. Bonds5

About 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 132771561) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID132771561
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nccc(C3CCCN3Cc3cccc4[nH]ccc34)n2)cn1
InChIInChI=1S/C23H21N7/c24-13-17-6-7-18(14-27-17)28-23-26-11-9-21(29-23)22-5-2-12-30(22)15-16-3-1-4-20-19(16)8-10-25-20/h1,3-4,6-11,14,22,25H,2,5,12,15H2,(H,26,28,29)
InChIKeyPBMMLMXUICPVNI-UHFFFAOYSA-N
XLogP4.31
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 132771561) is 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nccc(C3CCCN3Cc3cccc4[nH]ccc34)n2)cn1.
What is the InChIKey of 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is PBMMLMXUICPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c24-13-17-6-7-18(14-27-17)28-23-26-11-9-21(29-23)22-5-2-12-30(22)15-16-3-1-4-20-19(16)8-10-25-20/h1,3-4,6-11,14,22,25H,2,5,12,15H2,(H,26,28,29).
What are the key properties of 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132771561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).