2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

C35H36FN7O — CID 126561444

IUPAC2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cncc(CN7CCCC7)c6)cc54)cc23)c1
InChIInChI=1S/C35H36FN7O/c1-42(2)9-10-44-28-13-24(12-27(36)15-28)31-20-38-21-34-29(31)16-33(41-34)35-30-14-26(19-40-32(30)5-6-39-35)25-11-23(17-37-18-25)22-43-7-3-4-8-43/h11-21,41H,3-10,22H2,1-2H3
InChIKeyNAEXBZQWDUDYNT-UHFFFAOYSA-N
MW589.72 g/mol
LogP5.76
Rot. Bonds9

About 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 126561444) has the molecular formula C35H36FN7O and a molecular weight of 589.72 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID126561444
Molecular FormulaC35H36FN7O
Molecular Weight589.72 g/mol
Exact Mass589.30
IUPAC Name2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cncc(CN7CCCC7)c6)cc54)cc23)c1
InChIInChI=1S/C35H36FN7O/c1-42(2)9-10-44-28-13-24(12-27(36)15-28)31-20-38-21-34-29(31)16-33(41-34)35-30-14-26(19-40-32(30)5-6-39-35)25-11-23(17-37-18-25)22-43-7-3-4-8-43/h11-21,41H,3-10,22H2,1-2H3
InChIKeyNAEXBZQWDUDYNT-UHFFFAOYSA-N
XLogP5.76
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.72
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (CID 126561444) is 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cncc(CN7CCCC7)c6)cc54)cc23)c1.
What is the InChIKey of 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is NAEXBZQWDUDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN7O/c1-42(2)9-10-44-28-13-24(12-27(36)15-28)31-20-38-21-34-29(31)16-33(41-34)35-30-14-26(19-40-32(30)5-6-39-35)25-11-23(17-37-18-25)22-43-7-3-4-8-43/h11-21,41H,3-10,22H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 589.72 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 126561444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).