8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine

C32H35FN6O — CID 126566147

IUPAC8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ccc(C6CCNCC6)nc54)cc23)c1
InChIInChI=1S/C32H35FN6O/c33-24-15-23(16-25(17-24)40-14-13-39-11-1-2-12-39)27-19-35-20-30-26(27)18-29(37-30)32-31-22(7-10-36-32)3-4-28(38-31)21-5-8-34-9-6-21/h3-4,15-21,34,37H,1-2,5-14H2
InChIKeySEFZSBHZSRWMIO-UHFFFAOYSA-N
MW538.67 g/mol
LogP5.10
Rot. Bonds7

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

8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine (PubChem CID 126566147) has the molecular formula C32H35FN6O and a molecular weight of 538.67 g/mol. Its IUPAC name is 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine.

Molecular Properties

Compound Name8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine
PubChem CID126566147
Molecular FormulaC32H35FN6O
Molecular Weight538.67 g/mol
Exact Mass538.29
IUPAC Name8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ccc(C6CCNCC6)nc54)cc23)c1
InChIInChI=1S/C32H35FN6O/c33-24-15-23(16-25(17-24)40-14-13-39-11-1-2-12-39)27-19-35-20-30-26(27)18-29(37-30)32-31-22(7-10-36-32)3-4-28(38-31)21-5-8-34-9-6-21/h3-4,15-21,34,37H,1-2,5-14H2
InChIKeySEFZSBHZSRWMIO-UHFFFAOYSA-N
XLogP5.10
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine?
The IUPAC name of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine (CID 126566147) is 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine.
What is the SMILES notation for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine?
The canonical SMILES for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine is Fc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ccc(C6CCNCC6)nc54)cc23)c1.
What is the InChIKey of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine?
The InChIKey is SEFZSBHZSRWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O/c33-24-15-23(16-25(17-24)40-14-13-39-11-1-2-12-39)27-19-35-20-30-26(27)18-29(37-30)32-31-22(7-10-36-32)3-4-28(38-31)21-5-8-34-9-6-21/h3-4,15-21,34,37H,1-2,5-14H2.
What are the key properties of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine?
8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine has a molecular weight of 538.67 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-piperidin-4-yl-5,6-dihydro-1,7-naphthyridine is sourced from PubChem (CID 126566147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).