1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

C16H15F2N3 — CID 105405146

IUPAC1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cc(F)cc(F)c2)c2ncccc12
InChIInChI=1S/C16H15F2N3/c1-19-8-12-10-21(16-15(12)3-2-4-20-16)9-11-5-13(17)7-14(18)6-11/h2-7,10,19H,8-9H2,1H3
InChIKeyIYVYVLOQZHLKGP-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (PubChem CID 105405146) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
PubChem CID105405146
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cc(F)cc(F)c2)c2ncccc12
InChIInChI=1S/C16H15F2N3/c1-19-8-12-10-21(16-15(12)3-2-4-20-16)9-11-5-13(17)7-14(18)6-11/h2-7,10,19H,8-9H2,1H3
InChIKeyIYVYVLOQZHLKGP-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzonitrile
CID 66412370
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411003
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 115983327
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66412959
ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
CID 144849193
N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66410806
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 79697393
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411193
5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66411011
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (CID 105405146) is 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is CNCc1cn(Cc2cc(F)cc(F)c2)c2ncccc12.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is IYVYVLOQZHLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-19-8-12-10-21(16-15(12)3-2-4-20-16)9-11-5-13(17)7-14(18)6-11/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 287.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 105405146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).