3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile

C14H12ClF3N4O — CID 166075543

IUPAC3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCc1[nH]c2c(N3CCOCC3)c(C#N)c(C(F)(F)F)nc2c1Cl
InChIInChI=1S/C14H12ClF3N4O/c1-7-9(15)10-11(20-7)12(22-2-4-23-5-3-22)8(6-19)13(21-10)14(16,17)18/h20H,2-5H2,1H3
InChIKeyTUGSPQNQMPTCBA-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.25
Rot. Bonds1

About 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile

3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile (PubChem CID 166075543) has the molecular formula C14H12ClF3N4O and a molecular weight of 344.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
PubChem CID166075543
Molecular FormulaC14H12ClF3N4O
Molecular Weight344.72 g/mol
Exact Mass344.07
IUPAC Name3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCc1[nH]c2c(N3CCOCC3)c(C#N)c(C(F)(F)F)nc2c1Cl
InChIInChI=1S/C14H12ClF3N4O/c1-7-9(15)10-11(20-7)12(22-2-4-23-5-3-22)8(6-19)13(21-10)14(16,17)18/h20H,2-5H2,1H3
InChIKeyTUGSPQNQMPTCBA-UHFFFAOYSA-N
XLogP3.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075537
N-[1-[3-chloro-6-cyano-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-7-yl]piperidin-4-yl]-N-methylacetamide
CID 166075763
7-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-3-chloro-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075612
3-chloro-2-methyl-7-(1-methyl-1,9-diazaspiro[4.5]decan-9-yl)-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075680
1-[3-chloro-6-cyano-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-7-yl]-N-(2-methoxyethyl)-4-methylpiperidine-4-carboxamide
CID 166075670
5-[amino(difluoro)methyl]-3-chloro-7-[3-(hydroxymethyl)azetidin-1-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075649
6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272134
3-chloro-5-(1,1-difluoroethyl)-2,6-dimethyl-7-[(3R)-3-methylpiperidin-1-yl]-1H-pyrrolo[3,2-b]pyridine
CID 166075582
3-chloro-5-(1,1-difluoroethyl)-6-ethynyl-2,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
CID 166075690
2-amino-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10610954
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
3-chloro-2-methyl-6-morpholin-4-ylbenzonitrile
CID 132520506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile (CID 166075543) is 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile is Cc1[nH]c2c(N3CCOCC3)c(C#N)c(C(F)(F)F)nc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The InChIKey is TUGSPQNQMPTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O/c1-7-9(15)10-11(20-7)12(22-2-4-23-5-3-22)8(6-19)13(21-10)14(16,17)18/h20H,2-5H2,1H3.
What are the key properties of 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile has a molecular weight of 344.72 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 166075543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).