6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine

C24H26Cl2N6O2 — CID 169076067

About 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine

6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine (PubChem CID 169076067) has the molecular formula C24H26Cl2N6O2 and a molecular weight of 501.42 g/mol. Its IUPAC name is 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine
• PubChem CID: 169076067
• Molecular Formula: C24H26Cl2N6O2
• Molecular Weight: 501.42 g/mol
• Exact Mass: 500.15
• IUPAC Name: 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine
• SMILES: COCC12CC(n3ncc(Nc4ncc5cc(Cl)c(N6CC7CCC(C6)O7)cc5n4)c3Cl)(C1)C2
• InChI: InChI=1S/C24H26Cl2N6O2/c1-33-13-23-10-24(11-23,12-23)32-21(26)19(7-28-32)30-22-27-6-14-4-17(25)20(5-18(14)29-22)31-8-15-2-3-16(9-31)34-15/h4-7,15-16H,2-3,8-13H2,1H3,(H,27,29,30)
• InChIKey: VBANMHRUFWWWIO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.42
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine?

The IUPAC name of 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine (CID 169076067) is 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine.

What is the SMILES notation for 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine?

The canonical SMILES for 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine is COCC12CC(n3ncc(Nc4ncc5cc(Cl)c(N6CC7CCC(C6)O7)cc5n4)c3Cl)(C1)C2.

What is the InChIKey of 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine?

The InChIKey is VBANMHRUFWWWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6O2/c1-33-13-23-10-24(11-23,12-23)32-21(26)19(7-28-32)30-22-27-6-14-4-17(25)20(5-18(14)29-22)31-8-15-2-3-16(9-31)34-15/h4-7,15-16H,2-3,8-13H2,1H3,(H,27,29,30).

What are the key properties of 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine?

6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine has a molecular weight of 501.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[5-chloro-1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinazolin-2-amine is sourced from PubChem (CID 169076067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).