propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate

C22H22FN5O3 — CID 123754459

IUPACpropan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate
SMILESCC(C)OC(=O)NC1CN(C(=O)c2cnc(N)c3nc(-c4cccc(F)c4)ccc23)C1
InChIInChI=1S/C22H22FN5O3/c1-12(2)31-22(30)26-15-10-28(11-15)21(29)17-9-25-20(24)19-16(17)6-7-18(27-19)13-4-3-5-14(23)8-13/h3-9,12,15H,10-11H2,1-2H3,(H2,24,25)(H,26,30)
InChIKeyCKIBLRTVTLHSOS-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.98
Rot. Bonds4

About propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate

propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate (PubChem CID 123754459) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate
PubChem CID123754459
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Namepropan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate
SMILESCC(C)OC(=O)NC1CN(C(=O)c2cnc(N)c3nc(-c4cccc(F)c4)ccc23)C1
InChIInChI=1S/C22H22FN5O3/c1-12(2)31-22(30)26-15-10-28(11-15)21(29)17-9-25-20(24)19-16(17)6-7-18(27-19)13-4-3-5-14(23)8-13/h3-9,12,15H,10-11H2,1-2H3,(H2,24,25)(H,26,30)
InChIKeyCKIBLRTVTLHSOS-UHFFFAOYSA-N
XLogP2.98
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate (CID 123754459) is propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate is CC(C)OC(=O)NC1CN(C(=O)c2cnc(N)c3nc(-c4cccc(F)c4)ccc23)C1.
What is the InChIKey of propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate?
The InChIKey is CKIBLRTVTLHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-12(2)31-22(30)26-15-10-28(11-15)21(29)17-9-25-20(24)19-16(17)6-7-18(27-19)13-4-3-5-14(23)8-13/h3-9,12,15H,10-11H2,1-2H3,(H2,24,25)(H,26,30).
What are the key properties of propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate?
propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate has a molecular weight of 423.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 123754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).