1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile

C18H19N5O — CID 118190055

IUPAC1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile
SMILESCc1[nH]c2nccc(N3CCOCC3)c2c1-c1cc(C#N)n(C)c1
InChIInChI=1S/C18H19N5O/c1-12-16(13-9-14(10-19)22(2)11-13)17-15(3-4-20-18(17)21-12)23-5-7-24-8-6-23/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyZFJQZMIIRHCVGR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.59
Rot. Bonds2

About 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile

1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile (PubChem CID 118190055) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile
PubChem CID118190055
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile
SMILESCc1[nH]c2nccc(N3CCOCC3)c2c1-c1cc(C#N)n(C)c1
InChIInChI=1S/C18H19N5O/c1-12-16(13-9-14(10-19)22(2)11-13)17-15(3-4-20-18(17)21-12)23-5-7-24-8-6-23/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyZFJQZMIIRHCVGR-UHFFFAOYSA-N
XLogP2.59
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
CID 118190053
3-[4-(1,4-oxazepan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 118190155
4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]morpholine
CID 118190035
4-amino-1-methyl-5-morpholin-4-ylpyrrole-2-carbonitrile
CID 100771213
2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 69486425
13-[(2R)-2-(methylaminomethyl)morpholin-4-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365065
1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one
CID 66557831
6-[2-(4-methyl-2-pyridinyl)ethyl]-4-morpholin-4-ylpyrrolo[3,4-b]pyridin-5-ol
CID 137160994
propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563255
5-(2,5-dimethylphenyl)-1-methyl-3-morpholin-4-ylpyridin-2-one
CID 123391037
2-morpholin-4-ylbenzonitrile
CID 2737012
2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 151808878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile (CID 118190055) is 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile is Cc1[nH]c2nccc(N3CCOCC3)c2c1-c1cc(C#N)n(C)c1.
What is the InChIKey of 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile?
The InChIKey is ZFJQZMIIRHCVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-16(13-9-14(10-19)22(2)11-13)17-15(3-4-20-18(17)21-12)23-5-7-24-8-6-23/h3-4,9,11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile?
1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 118190055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).