N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine

C23H18F2N4O2 — CID 67962479

IUPACN-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(NCC3COc4ccc(-c5cc(F)cc(F)c5)nc43)ccnc2c1
InChIInChI=1S/C23H18F2N4O2/c1-30-17-9-20-23(28-11-17)19(4-5-26-20)27-10-14-12-31-21-3-2-18(29-22(14)21)13-6-15(24)8-16(25)7-13/h2-9,11,14H,10,12H2,1H3,(H,26,27)
InChIKeyNCFCAENUHBVWPC-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.57
Rot. Bonds5

About N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine

N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (PubChem CID 67962479) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
PubChem CID67962479
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC NameN-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(NCC3COc4ccc(-c5cc(F)cc(F)c5)nc43)ccnc2c1
InChIInChI=1S/C23H18F2N4O2/c1-30-17-9-20-23(28-11-17)19(4-5-26-20)27-10-14-12-31-21-3-2-18(29-22(14)21)13-6-15(24)8-16(25)7-13/h2-9,11,14H,10,12H2,1H3,(H,26,27)
InChIKeyNCFCAENUHBVWPC-UHFFFAOYSA-N
XLogP4.57
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The IUPAC name of N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (CID 67962479) is N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is COc1cnc2c(NCC3COc4ccc(-c5cc(F)cc(F)c5)nc43)ccnc2c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The InChIKey is NCFCAENUHBVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-30-17-9-20-23(28-11-17)19(4-5-26-20)27-10-14-12-31-21-3-2-18(29-22(14)21)13-6-15(24)8-16(25)7-13/h2-9,11,14H,10,12H2,1H3,(H,26,27).
What are the key properties of N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine has a molecular weight of 420.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is sourced from PubChem (CID 67962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).