5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine

C20H15ClF3N5 — CID 150061155

IUPAC5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(CNc2ccc(Cn3ccc4cc(Cl)cnc43)cn2)cn1
InChIInChI=1S/C20H15ClF3N5/c21-16-7-15-5-6-29(19(15)28-11-16)12-14-2-4-18(27-10-14)26-9-13-1-3-17(25-8-13)20(22,23)24/h1-8,10-11H,9,12H2,(H,26,27)
InChIKeyDNIBXVHBSABWGD-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.16
Rot. Bonds5

About 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine

5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 150061155) has the molecular formula C20H15ClF3N5 and a molecular weight of 417.82 g/mol. Its IUPAC name is 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID150061155
Molecular FormulaC20H15ClF3N5
Molecular Weight417.82 g/mol
Exact Mass417.10
IUPAC Name5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(CNc2ccc(Cn3ccc4cc(Cl)cnc43)cn2)cn1
InChIInChI=1S/C20H15ClF3N5/c21-16-7-15-5-6-29(19(15)28-11-16)12-14-2-4-18(27-10-14)26-9-13-1-3-17(25-8-13)20(22,23)24/h1-8,10-11H,9,12H2,(H,26,27)
InChIKeyDNIBXVHBSABWGD-UHFFFAOYSA-N
XLogP5.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907796
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
1-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylmethanamine
CID 117223819
2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
CID 117223833
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562584
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
propanoic acid;1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907795
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 175941233
5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 71096125

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (CID 150061155) is 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is FC(F)(F)c1ccc(CNc2ccc(Cn3ccc4cc(Cl)cnc43)cn2)cn1.
What is the InChIKey of 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is DNIBXVHBSABWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5/c21-16-7-15-5-6-29(19(15)28-11-16)12-14-2-4-18(27-10-14)26-9-13-1-3-17(25-8-13)20(22,23)24/h1-8,10-11H,9,12H2,(H,26,27).
What are the key properties of 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 417.82 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 150061155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).