4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine

C29H38N8O3 — CID 156649401

IUPAC4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine
SMILESCC(Oc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1)c1cnn(C(C)C)c1N
InChIInChI=1S/C29H38N8O3/c1-19(2)37-28(30)25(17-33-37)20(3)39-23-14-24-26(32-16-23)15-27(35-10-12-38-13-11-35)34-29(24)40-22-6-4-21(5-7-22)36-9-8-31-18-36/h8-9,14-22H,4-7,10-13,30H2,1-3H3
InChIKeyYKRKXGZNSSBFII-UHFFFAOYSA-N
MW546.68 g/mol
LogP4.73
Rot. Bonds8

About 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine

4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine (PubChem CID 156649401) has the molecular formula C29H38N8O3 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine
PubChem CID156649401
Molecular FormulaC29H38N8O3
Molecular Weight546.68 g/mol
Exact Mass546.31
IUPAC Name4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine
SMILESCC(Oc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1)c1cnn(C(C)C)c1N
InChIInChI=1S/C29H38N8O3/c1-19(2)37-28(30)25(17-33-37)20(3)39-23-14-24-26(32-16-23)15-27(35-10-12-38-13-11-35)34-29(24)40-22-6-4-21(5-7-22)36-9-8-31-18-36/h8-9,14-22H,4-7,10-13,30H2,1-3H3
InChIKeyYKRKXGZNSSBFII-UHFFFAOYSA-N
XLogP4.73
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine 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 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine (CID 156649401) is 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine is CC(Oc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1)c1cnn(C(C)C)c1N.
What is the InChIKey of 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine?
The InChIKey is YKRKXGZNSSBFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3/c1-19(2)37-28(30)25(17-33-37)20(3)39-23-14-24-26(32-16-23)15-27(35-10-12-38-13-11-35)34-29(24)40-22-6-4-21(5-7-22)36-9-8-31-18-36/h8-9,14-22H,4-7,10-13,30H2,1-3H3.
What are the key properties of 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine?
4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine has a molecular weight of 546.68 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 156649401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).