tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine

C54H71ClN10O6 — CID 158630636

About tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine

tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine (PubChem CID 158630636) has the molecular formula C54H71ClN10O6 and a molecular weight of 991.68 g/mol. Its IUPAC name is tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
• PubChem CID: 158630636
• Molecular Formula: C54H71ClN10O6
• Molecular Weight: 991.68 g/mol
• Exact Mass: 990.52
• IUPAC Name: tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
• SMILES: C.CC(C)(C)OC(=O)N1CC[C@H](CN)C1.COc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCOCC1.COc1cc(-c2cc3ncccc3c(NC[C@@H]3CCNC3)n2)ccc1N1CCOCC1
• InChI: InChI=1S/C24H29N5O2.C19H18ClN3O2.C10H20N2O2.CH4/c1-30-23-13-18(4-5-22(23)29-9-11-31-12-10-29)20-14-21-19(3-2-7-26-21)24(28-20)27-16-17-6-8-25-15-17;1-24-18-11-13(4-5-17(18)23-7-9-25-10-8-23)15-12-16-14(19(20)22-15)3-2-6-21-16;1-10(2,3)14-9(13)12-5-4-8(6-11)7-12;/h2-5,7,13-14,17,25H,6,8-12,15-16H2,1H3,(H,27,28);2-6,11-12H,7-10H2,1H3;8H,4-7,11H2,1-3H3;1H4/t17-;;8-;/m1.1./s1
• InChIKey: HZDNMIRRLMWRHB-YWJTXMAFSA-N
• XLogP: 8.80
• TPSA: 174.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.68
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?

The IUPAC name of tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine (CID 158630636) is tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine.

What is the SMILES notation for tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?

The canonical SMILES for tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine is C.CC(C)(C)OC(=O)N1CC[C@H](CN)C1.COc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCOCC1.COc1cc(-c2cc3ncccc3c(NC[C@@H]3CCNC3)n2)ccc1N1CCOCC1.

What is the InChIKey of tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?

The InChIKey is HZDNMIRRLMWRHB-YWJTXMAFSA-N. The full InChI is InChI=1S/C24H29N5O2.C19H18ClN3O2.C10H20N2O2.CH4/c1-30-23-13-18(4-5-22(23)29-9-11-31-12-10-29)20-14-21-19(3-2-7-26-21)24(28-20)27-16-17-6-8-25-15-17;1-24-18-11-13(4-5-17(18)23-7-9-25-10-8-23)15-12-16-14(19(20)22-15)3-2-6-21-16;1-10(2,3)14-9(13)12-5-4-8(6-11)7-12;/h2-5,7,13-14,17,25H,6,8-12,15-16H2,1H3,(H,27,28);2-6,11-12H,7-10H2,1H3;8H,4-7,11H2,1-3H3;1H4/t17-;;8-;/m1.1./s1.

What are the key properties of tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine?

tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine has a molecular weight of 991.68 g/mol, XLogP of 8.80, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 158630636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).