cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C22H22ClN5O2 — CID 155399491

IUPACcyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C22H22ClN5O2/c23-13-11-16-19(24-12-13)27-20(26-16)22(8-2-9-22)18-7-6-17-15(25-18)3-1-10-28(17)21(29)30-14-4-5-14/h6-7,11-12,14H,1-5,8-10H2,(H,24,26,27)
InChIKeyFGLCJNMORKETCN-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.53
Rot. Bonds3

About cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 155399491) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID155399491
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Namecyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C22H22ClN5O2/c23-13-11-16-19(24-12-13)27-20(26-16)22(8-2-9-22)18-7-6-17-15(25-18)3-1-10-28(17)21(29)30-14-4-5-14/h6-7,11-12,14H,1-5,8-10H2,(H,24,26,27)
InChIKeyFGLCJNMORKETCN-UHFFFAOYSA-N
XLogP4.53
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 155399491) is cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21.
What is the InChIKey of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is FGLCJNMORKETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-13-11-16-19(24-12-13)27-20(26-16)22(8-2-9-22)18-7-6-17-15(25-18)3-1-10-28(17)21(29)30-14-4-5-14/h6-7,11-12,14H,1-5,8-10H2,(H,24,26,27).
What are the key properties of cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 423.90 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 155399491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).