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

C32H29FN6O2 — CID 126568364

IUPAC3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5ncc(-c6cncc(OCCN7CCCC7)c6)cc54)cc23)c1
InChIInChI=1S/C32H29FN6O2/c33-23-11-20(12-24(40)15-23)31-27-16-30(38-29(27)4-6-35-31)32-26-14-22(18-37-28(26)3-5-36-32)21-13-25(19-34-17-21)41-10-9-39-7-1-2-8-39/h4,6,11-19,38,40H,1-3,5,7-10H2
InChIKeyFWXHEARMEYXVSH-UHFFFAOYSA-N
MW548.62 g/mol
LogP5.40
Rot. Bonds7

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

3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 126568364) has the molecular formula C32H29FN6O2 and a molecular weight of 548.62 g/mol. Its IUPAC name is 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID126568364
Molecular FormulaC32H29FN6O2
Molecular Weight548.62 g/mol
Exact Mass548.23
IUPAC Name3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5ncc(-c6cncc(OCCN7CCCC7)c6)cc54)cc23)c1
InChIInChI=1S/C32H29FN6O2/c33-23-11-20(12-24(40)15-23)31-27-16-30(38-29(27)4-6-35-31)32-26-14-22(18-37-28(26)3-5-36-32)21-13-25(19-34-17-21)41-10-9-39-7-1-2-8-39/h4,6,11-19,38,40H,1-3,5,7-10H2
InChIKeyFWXHEARMEYXVSH-UHFFFAOYSA-N
XLogP5.40
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.62
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 126568364) is 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is Oc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5ncc(-c6cncc(OCCN7CCCC7)c6)cc54)cc23)c1.
What is the InChIKey of 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is FWXHEARMEYXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O2/c33-23-11-20(12-24(40)15-23)31-27-16-30(38-29(27)4-6-35-31)32-26-14-22(18-37-28(26)3-5-36-32)21-13-25(19-34-17-21)41-10-9-39-7-1-2-8-39/h4,6,11-19,38,40H,1-3,5,7-10H2.
What are the key properties of 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 548.62 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 126568364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).