(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H23N5 — CID 99946292

IUPAC(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1ccc2ccc(CN3CCc4[nH]cnc4[C@H]3c3cccnc3)cc21
InChIInChI=1S/C22H23N5/c1-2-26-10-7-17-6-5-16(12-20(17)26)14-27-11-8-19-21(25-15-24-19)22(27)18-4-3-9-23-13-18/h3-7,9-10,12-13,15,22H,2,8,11,14H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyXFBMRCOKVSLNPL-JOCHJYFZSA-N
MW357.46 g/mol
LogP3.93
Rot. Bonds4

About (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 99946292) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID99946292
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1ccc2ccc(CN3CCc4[nH]cnc4[C@H]3c3cccnc3)cc21
InChIInChI=1S/C22H23N5/c1-2-26-10-7-17-6-5-16(12-20(17)26)14-27-11-8-19-21(25-15-24-19)22(27)18-4-3-9-23-13-18/h3-7,9-10,12-13,15,22H,2,8,11,14H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyXFBMRCOKVSLNPL-JOCHJYFZSA-N
XLogP3.93
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 99946292) is (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCn1ccc2ccc(CN3CCc4[nH]cnc4[C@H]3c3cccnc3)cc21.
What is the InChIKey of (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XFBMRCOKVSLNPL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-26-10-7-17-6-5-16(12-20(17)26)14-27-11-8-19-21(25-15-24-19)22(27)18-4-3-9-23-13-18/h3-7,9-10,12-13,15,22H,2,8,11,14H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 357.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 99946292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).