3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone

C25H32ClF3N4O — CID 143503298

IUPAC3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCCCN(CCC)CCCn1cc(C(C)=O)c2cccnc21.Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H27N3O.C7H5ClF3N/c1-4-10-20(11-5-2)12-7-13-21-14-17(15(3)22)16-8-6-9-19-18(16)21;1-4-6(8)2-5(3-12-4)7(9,10)11/h6,8-9,14H,4-5,7,10-13H2,1-3H3;2-3H,1H3
InChIKeyFOWYNMVXNSXPKS-UHFFFAOYSA-N
MW497.01 g/mol
LogP6.81
Rot. Bonds9

About 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone

3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 143503298) has the molecular formula C25H32ClF3N4O and a molecular weight of 497.01 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
PubChem CID143503298
Molecular FormulaC25H32ClF3N4O
Molecular Weight497.01 g/mol
Exact Mass496.22
IUPAC Name3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCCCN(CCC)CCCn1cc(C(C)=O)c2cccnc21.Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H27N3O.C7H5ClF3N/c1-4-10-20(11-5-2)12-7-13-21-14-17(15(3)22)16-8-6-9-19-18(16)21;1-4-6(8)2-5(3-12-4)7(9,10)11/h6,8-9,14H,4-5,7,10-13H2,1-3H3;2-3H,1H3
InChIKeyFOWYNMVXNSXPKS-UHFFFAOYSA-N
XLogP6.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.01
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The IUPAC name of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 143503298) is 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The canonical SMILES for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is CCCN(CCC)CCCn1cc(C(C)=O)c2cccnc21.Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The InChIKey is FOWYNMVXNSXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.C7H5ClF3N/c1-4-10-20(11-5-2)12-7-13-21-14-17(15(3)22)16-8-6-9-19-18(16)21;1-4-6(8)2-5(3-12-4)7(9,10)11/h6,8-9,14H,4-5,7,10-13H2,1-3H3;2-3H,1H3.
What are the key properties of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone?
3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 497.01 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;1-[1-[3-(dipropylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 143503298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).