4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile

C27H27N5O2 — CID 44574312

IUPAC4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C27H27N5O2/c1-19-23-8-9-30-26(23)7-6-25(19)31-27-21(16-28)17-29-18-24(27)20-2-4-22(5-3-20)34-15-12-32-10-13-33-14-11-32/h2-9,17-18,30H,10-15H2,1H3,(H,29,31)
InChIKeyYUZANCJQMKLODH-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.86
Rot. Bonds7

About 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 44574312) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID44574312
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C27H27N5O2/c1-19-23-8-9-30-26(23)7-6-25(19)31-27-21(16-28)17-29-18-24(27)20-2-4-22(5-3-20)34-15-12-32-10-13-33-14-11-32/h2-9,17-18,30H,10-15H2,1H3,(H,29,31)
InChIKeyYUZANCJQMKLODH-UHFFFAOYSA-N
XLogP4.86
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (CID 44574312) is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12.
What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is YUZANCJQMKLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19-23-8-9-30-26(23)7-6-25(19)31-27-21(16-28)17-29-18-24(27)20-2-4-22(5-3-20)34-15-12-32-10-13-33-14-11-32/h2-9,17-18,30H,10-15H2,1H3,(H,29,31).
What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 453.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 44574312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).