5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile

C22H24N4 — CID 11210126

IUPAC5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile
SMILESCC(CN1CCC[C@H]1C)c1cc2cc(-c3cncc(C#N)c3)ccc2[nH]1
InChIInChI=1S/C22H24N4/c1-15(14-26-7-3-4-16(26)2)22-10-19-9-18(5-6-21(19)25-22)20-8-17(11-23)12-24-13-20/h5-6,8-10,12-13,15-16,25H,3-4,7,14H2,1-2H3/t15?,16-/m1/s1
InChIKeyRSRRGGQTFCPTQI-OEMAIJDKSA-N
MW344.46 g/mol
LogP4.69
Rot. Bonds4

About 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile

5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile (PubChem CID 11210126) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile
PubChem CID11210126
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile
SMILESCC(CN1CCC[C@H]1C)c1cc2cc(-c3cncc(C#N)c3)ccc2[nH]1
InChIInChI=1S/C22H24N4/c1-15(14-26-7-3-4-16(26)2)22-10-19-9-18(5-6-21(19)25-22)20-8-17(11-23)12-24-13-20/h5-6,8-10,12-13,15-16,25H,3-4,7,14H2,1-2H3/t15?,16-/m1/s1
InChIKeyRSRRGGQTFCPTQI-OEMAIJDKSA-N
XLogP4.69
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile (CID 11210126) is 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile is CC(CN1CCC[C@H]1C)c1cc2cc(-c3cncc(C#N)c3)ccc2[nH]1.
What is the InChIKey of 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile?
The InChIKey is RSRRGGQTFCPTQI-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H24N4/c1-15(14-26-7-3-4-16(26)2)22-10-19-9-18(5-6-21(19)25-22)20-8-17(11-23)12-24-13-20/h5-6,8-10,12-13,15-16,25H,3-4,7,14H2,1-2H3/t15?,16-/m1/s1.
What are the key properties of 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile?
5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile has a molecular weight of 344.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]-1H-indol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 11210126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).