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

C15H14ClF3N4O — CID 166075537

IUPAC3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCc1[nH]c2c(N3CCO[C@H](C)C3)c(C#N)c(C(F)(F)F)nc2c1Cl
InChIInChI=1S/C15H14ClF3N4O/c1-7-6-23(3-4-24-7)13-9(5-20)14(15(17,18)19)22-11-10(16)8(2)21-12(11)13/h7,21H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyDYJAPLLMFCTNLV-SSDOTTSWSA-N
MW358.75 g/mol
LogP3.64
Rot. Bonds1

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

3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile (PubChem CID 166075537) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
PubChem CID166075537
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCc1[nH]c2c(N3CCO[C@H](C)C3)c(C#N)c(C(F)(F)F)nc2c1Cl
InChIInChI=1S/C15H14ClF3N4O/c1-7-6-23(3-4-24-7)13-9(5-20)14(15(17,18)19)22-11-10(16)8(2)21-12(11)13/h7,21H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyDYJAPLLMFCTNLV-SSDOTTSWSA-N
XLogP3.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075543
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
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
5-[amino(difluoro)methyl]-3-chloro-7-[3-(hydroxymethyl)azetidin-1-yl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075649
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
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543287
6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272134
1,3-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pyrazole-4-carbonitrile
CID 63752329
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
CID 171392327
2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133354102
4-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-methylmorpholine
CID 80688129
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile (CID 166075537) is 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile is Cc1[nH]c2c(N3CCO[C@H](C)C3)c(C#N)c(C(F)(F)F)nc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The InChIKey is DYJAPLLMFCTNLV-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-7-6-23(3-4-24-7)13-9(5-20)14(15(17,18)19)22-11-10(16)8(2)21-12(11)13/h7,21H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
3-chloro-2-methyl-7-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile has a molecular weight of 358.75 g/mol, XLogP of 3.64, 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-[(2R)-2-methylmorpholin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 166075537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).