2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

C37H42Cl2N10O2 — CID 158629420

About 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 158629420) has the molecular formula C37H42Cl2N10O2 and a molecular weight of 729.72 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
• PubChem CID: 158629420
• Molecular Formula: C37H42Cl2N10O2
• Molecular Weight: 729.72 g/mol
• Exact Mass: 728.29
• IUPAC Name: 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
• SMILES: COC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.OC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
• InChI: InChI=1S/C19H22ClN5O.C18H20ClN5O/c1-26-16(12-24-6-2-3-7-24)13-25-11-15(10-22-25)14-8-18-17(21-9-14)4-5-19(20)23-18;19-18-4-3-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-5-1-2-6-23/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3;3-4,7-10,15,25H,1-2,5-6,11-12H2
• InChIKey: HYZUGRSGNWKQPQ-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 123.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	729.72
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?

The IUPAC name of 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 158629420) is 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

What is the SMILES notation for 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?

The canonical SMILES for 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is COC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.OC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.

What is the InChIKey of 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?

The InChIKey is HYZUGRSGNWKQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O.C18H20ClN5O/c1-26-16(12-24-6-2-3-7-24)13-25-11-15(10-22-25)14-8-18-17(21-9-14)4-5-19(20)23-18;19-18-4-3-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-5-1-2-6-23/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3;3-4,7-10,15,25H,1-2,5-6,11-12H2.

What are the key properties of 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?

2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 729.72 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[1-(2-methoxy-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 158629420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).