1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine

C33H30FN5O — CID 126570580

IUPAC1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
SMILESFc1ccccc1-c1cccc2[nH]c(C3=NCCc4cnc(-c5cncc(OCCN6CCCC6)c5)cc43)cc12
InChIInChI=1S/C33H30FN5O/c34-29-8-2-1-6-26(29)25-7-5-9-30-28(25)18-32(38-30)33-27-17-31(37-20-22(27)10-11-36-33)23-16-24(21-35-19-23)40-15-14-39-12-3-4-13-39/h1-2,5-9,16-21,38H,3-4,10-15H2
InChIKeyYFJHSRJIQDDKEK-UHFFFAOYSA-N
MW531.64 g/mol
LogP6.30
Rot. Bonds7

About 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine

1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine (PubChem CID 126570580) has the molecular formula C33H30FN5O and a molecular weight of 531.64 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
PubChem CID126570580
Molecular FormulaC33H30FN5O
Molecular Weight531.64 g/mol
Exact Mass531.24
IUPAC Name1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine
SMILESFc1ccccc1-c1cccc2[nH]c(C3=NCCc4cnc(-c5cncc(OCCN6CCCC6)c5)cc43)cc12
InChIInChI=1S/C33H30FN5O/c34-29-8-2-1-6-26(29)25-7-5-9-30-28(25)18-32(38-30)33-27-17-31(37-20-22(27)10-11-36-33)23-16-24(21-35-19-23)40-15-14-39-12-3-4-13-39/h1-2,5-9,16-21,38H,3-4,10-15H2
InChIKeyYFJHSRJIQDDKEK-UHFFFAOYSA-N
XLogP6.30
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?
The IUPAC name of 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine (CID 126570580) is 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine is Fc1ccccc1-c1cccc2[nH]c(C3=NCCc4cnc(-c5cncc(OCCN6CCCC6)c5)cc43)cc12.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?
The InChIKey is YFJHSRJIQDDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN5O/c34-29-8-2-1-6-26(29)25-7-5-9-30-28(25)18-32(38-30)33-27-17-31(37-20-22(27)10-11-36-33)23-16-24(21-35-19-23)40-15-14-39-12-3-4-13-39/h1-2,5-9,16-21,38H,3-4,10-15H2.
What are the key properties of 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine?
1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine has a molecular weight of 531.64 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-1H-indol-2-yl]-7-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3,4-dihydro-2,6-naphthyridine is sourced from PubChem (CID 126570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).