(3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane

C66H84Cl2N10O8 — CID 158555058

About (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane

(3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane (PubChem CID 158555058) has the molecular formula C66H84Cl2N10O8 and a molecular weight of 1216.37 g/mol. Its IUPAC name is (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane.

Molecular Properties

• Compound Name: (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane
• PubChem CID: 158555058
• Molecular Formula: C66H84Cl2N10O8
• Molecular Weight: 1216.37 g/mol
• Exact Mass: 1214.59
• IUPAC Name: (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane
• SMILES: COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc4ccccc4c3)NC(=O)OC(C)(C)C)C2)nc2ccc(OC)nc21.COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2ccc(OC)nc21.ClCCl
• InChI: InChI=1S/C35H45N5O5.C30H37N5O3.CH2Cl2/c1-35(2,3)45-34(42)36-28(21-24-13-14-25-10-6-7-11-26(25)20-24)22-31(41)39-17-8-12-27(23-39)32-37-29-15-16-30(44-5)38-33(29)40(32)18-9-19-43-4;1-37-16-6-15-35-29(32-26-12-13-27(38-2)33-30(26)35)24-9-5-14-34(20-24)28(36)19-25(31)18-21-10-11-22-7-3-4-8-23(22)17-21;2-1-3/h6-7,10-11,13-16,20,27-28H,8-9,12,17-19,21-23H2,1-5H3,(H,36,42);3-4,7-8,10-13,17,24-25H,5-6,9,14-16,18-20,31H2,1-2H3;1H2/t27?,28-;24?,25-;/m11./s1
• InChIKey: HQELMOMUFGNLLU-YFDGOBBVSA-N
• XLogP: 11.58
• TPSA: 203.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.37
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane?

The IUPAC name of (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane (CID 158555058) is (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane.

What is the SMILES notation for (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane?

The canonical SMILES for (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane is COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc4ccccc4c3)NC(=O)OC(C)(C)C)C2)nc2ccc(OC)nc21.COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc4ccccc4c3)C2)nc2ccc(OC)nc21.ClCCl.

What is the InChIKey of (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane?

The InChIKey is HQELMOMUFGNLLU-YFDGOBBVSA-N. The full InChI is InChI=1S/C35H45N5O5.C30H37N5O3.CH2Cl2/c1-35(2,3)45-34(42)36-28(21-24-13-14-25-10-6-7-11-26(25)20-24)22-31(41)39-17-8-12-27(23-39)32-37-29-15-16-30(44-5)38-33(29)40(32)18-9-19-43-4;1-37-16-6-15-35-29(32-26-12-13-27(38-2)33-30(26)35)24-9-5-14-34(20-24)28(36)19-25(31)18-21-10-11-22-7-3-4-8-23(22)17-21;2-1-3/h6-7,10-11,13-16,20,27-28H,8-9,12,17-19,21-23H2,1-5H3,(H,36,42);3-4,7-8,10-13,17,24-25H,5-6,9,14-16,18-20,31H2,1-2H3;1H2/t27?,28-;24?,25-;/m11./s1.

What are the key properties of (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane?

(3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane has a molecular weight of 1216.37 g/mol, XLogP of 11.58, 21 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-4-naphthalen-2-ylbutan-1-one;tert-butyl N-[(2R)-4-[3-[5-methoxy-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate;dichloromethane is sourced from PubChem (CID 158555058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).